SCHEMBL22649095

SCHEMBL22649095

c1ccc(-c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.67
▸ RAB9A P51151 6/20 0.67
▸ GAA P10253 2/20 0.67
▸ DGAT1 O75907 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ KDM4E B2RXH2 8/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ MAPT P10636 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ GFER P55789 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RCE1 Q9Y256 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL16281922 0.91 NPC1 (0.66) NPC1RAB9AGAADGAT1KCNH2
SCHEMBL417825 0.90 ALDH1A1 (0.71) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL903717 0.89 NPC1 (0.66) NPC1RAB9AGAADGAT1KCNH2
SCHEMBL27825168 0.89 PRMT1 (0.54) NPC1RAB9AGAADGAT1KCNH2
SCHEMBL23131913 0.88 NPC1 (0.61) NPC1RAB9AGAADGAT1KCNH2
SCHEMBL10826401 0.88 KDM4E (0.72) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL14459924 0.88 NPC1 (0.53) NPC1RAB9AGAADGAT1KCNH2
SCHEMBL7852530 0.88 NPC1 (0.71) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL7659118 0.87 ALDH1A1 (0.54) NPC1RAB9AGAADGAT1KCNH2
SCHEMBL23131621 0.87 NPC1 (0.56) NPC1RAB9AGAADGAT1KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700909-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-01-24 — — EP disclosed
US-11665959-B2 Compound, organic electroluminescent device and display equipment WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-30 — — US disclosed
US-11665959-B2 Compound, organic electroluminescent device and display equipment WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-30 — — US disclosed
US-11665959-B2 Compound, organic electroluminescent device and display equipment WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-30 — — US disclosed
US-20210098710-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY EQUIPMENT WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2021-04-01 — — US disclosed
US-20210098710-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY EQUIPMENT WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2021-04-01 — — US disclosed
US-20200358005-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-11-12 — — US disclosed
CN-110642841-A Compound, organic electroluminescent device and display device 上海天马有机发光显示技术有限公司 2020-01-03 — — CN 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 (3 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-11665959-B2 Compound, organic electroluminescent device and display equipment L1CAM, CD99, EPCAM NPC1 3238/4885RAB9A 2546/4885GAA 271/4885
US-20200358005-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, L1CAM, EFNA1 NPC1 1938/4885RAB9A 2235/4885GAA 2439/4885
US-20210098710-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY EQUIPMENT L1CAM, CD99, EPCAM NPC1 3238/4885RAB9A 2546/4885GAA 271/4885

“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.

Send feedback