SCHEMBL855531

SCHEMBL855531

c1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
KDM4E B2RXH2 4/20 1.00
IDO1 P14902 3/20 1.00
MAPK10 P53779 2/20 1.00
GAA P10253 2/20 1.00
TTK P33981 2/20 1.00
HPGD P15428 2/20 1.00
ALPL P05186 1/20 1.00
NPC1 O15118 1/20 0.75
TP53 P04637 1/20 0.75
RAB9A P51151 1/20 0.75
MAP2K4 P45985 3/20 0.68
LRRK2 Q5S007 2/20 0.67
AURKA O14965 1/20 0.65
MAPK1 P28482 1/20 0.62
MAPKAPK3 Q16644 1/20 0.62
MAPK6 Q16659 1/20 0.62
DCLK1 O15075 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30768403 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL17178615 0.96 ALDH1A1 (0.92) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL27968462 0.92 ALDH1A1 (0.85) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL1672674 0.88 IDO1 (0.78) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL18977088 0.86 TTK (0.75) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL10533662 0.85 IDO1 (0.74) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL19597646 0.85 TTK (0.72) ALDH1A1KDM4EIDO1MAPK10GAA
Propionic Acid SCHEMBL4552403 0.84 KDM4E (0.71) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL5377572 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EIDO1MAPK10GAA
SCHEMBL4480025 0.84 ALDH1A1 (0.71) ALDH1A1KDM4EIDO1MAPK10GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 283 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190081244-A1 Space-Through Charge Transfer Compound, and Organic Light Emitting Diode and Display Device Using the Same LG DISPLAY CO., LTD. (KR) 2019-03-14 US claimed
US-10141515-B2 Space-through charge transfer compound, and organic light emitting diode and display device using the same LG DISPLAY CO., LTD. (KR) 2018-11-27 US claimed
CN-105601613-B Space charge transfer compounds and the Organic Light Emitting Diode and display device for using the compound 乐金显示有限公司 2018-08-07 CN claimed
EP-3010064-B1 SPACE-THROUGH CHARGE TRANSFER COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME LG DISPLAY CO LTD (KR) 2017-07-19 EP claimed
CN-105601613-A Space-through charge transfer compound, organic light emitting diode device and display device using the same LG DISPLAY CO LTD 2016-05-25 CN claimed
US-20160111650-A1 SPACE-THROUGH CHARGE TRANSFER COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2016-04-21 US claimed
EP-3010064-A1 SPACE-THROUGH CHARGE TRANSFER COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME LG Display Co., Ltd. (KR) 2016-04-20 EP claimed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP claimed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
CN-120192312-A Organic compound, organic electroluminescent device and electronic device comprising the same 陕西莱特光电材料股份有限公司 2025-06-24 CN disclosed
US-11878977-B2 JAK inhibitors containing a 4-membered heterocyclic amide THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-01-23 US disclosed
CN-117177591-A Preparation method of aromatic hydrocarbon benzodiazole one-dimensional structure-perovskite composite film and solar cell 西北工业大学 2023-12-05 CN disclosed
US-20230382926-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF THE WEST INDIES (TT) 2023-11-30 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
EP-0162216-A1 2,4,5-Triphenyl-1,2,3-triazoles and thier use BASF Aktiengesellschaft (DE) 1985-11-27 EP disclosed
EP-0150419-A1 2H-v-triazolyl[4,5-b]pyridines and their use BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 US disclosed
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230382926-A1 COMPOUNDS AND USES THEREOF CFTR, CCL11, CEL ALDH1A1 1002/4885KDM4E 4211/4885IDO1 1547/4885
US-10141515-B2 Space-through charge transfer compound, and organic light emitting diode and display device using the same NLRP1, NLRP3, CYBA ALDH1A1 1089/4885KDM4E 2885/4885IDO1 1748/4885
US-11878977-B2 JAK inhibitors containing a 4-membered heterocyclic amide JAK1, JAK2, JAK3 ALDH1A1 1814/4885KDM4E 282/4885IDO1 526/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALDH1A1 1571/4885KDM4E 1913/4885IDO1 2242/4885
US-20160111650-A1 SPACE-THROUGH CHARGE TRANSFER COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND DISPLAY DEVICE USING THE SAME NLRP1, NLRP3, CYBA ALDH1A1 1089/4885KDM4E 2885/4885IDO1 1748/4885
US-20190081244-A1 Space-Through Charge Transfer Compound, and Organic Light Emitting Diode and Display Device Using the Same NLRP1, NLRP3, CYBA ALDH1A1 1089/4885KDM4E 2885/4885IDO1 1748/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.