Sugi Predict

Sugi Predict / Compounds / SCHEMBL44422

SCHEMBL44422

SCHEMBL44422

c1ccc(-c2nnn(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ IDO1 P14902 3/20 0.54
▸ TDO2 P48775 3/20 0.54
▸ DHODH Q02127 3/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
Hydrochloric Acid SCHEMBL28572130 0.98 NPC1 (0.62) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL29036623 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL15762186 0.88 CA1 (0.56) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL2801060 0.86 CA1 (0.55) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL9911572 0.86 DHODH (0.52) NPC1RAB9ASMN1; SMN2DHODHMEN1
SCHEMBL1935195 0.82 DHODH (0.49) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL6623278 0.81 SRC (0.58) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL2360671 0.81 DHODH (0.51) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL15762183 0.80 KDM4E (0.46) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL15762188 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106816541-A Phosphorescent blue oled device 瑞声科技（南京）有限公司 2017-06-09 — — CN claimed
US-8609258-B2 Light emitting devices and compositions NITTO DENKO CORPORATION (JP) 2013-12-17 — — US claimed
US-8597803-B2 Light emitting devices and compositions NITTO DENKO CORPORATION (JP) 2013-12-03 — — US claimed
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-12-06 — — US claimed
US-20120273765-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2012-11-01 — — US claimed
CN-101321755-B Compound for organic electroluminescent element and organic electroluminescent element NIPPON STEEL CHEMICAL CO 2012-04-18 — — CN claimed
US-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-07-16 — — US claimed
WO-2009064661-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-05-22 — — WO claimed
US-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-03-12 — — US claimed
WO-2009006550-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-01-08 — — WO claimed
EP-0162216-A1 2,4,5-Triphenyl-1,2,3-triazoles and thier use BASF Aktiengesellschaft (DE) 1985-11-27 — — EP claimed
CN-115667579-A Method for producing conductive particles and conductive particles 日本化学工业株式会社 2023-01-31 — — CN disclosed
CN-115667580-A Conductive particle, conductive material using same, and connection structure 日本化学工业株式会社 2023-01-31 — — CN disclosed
CN-112384994-B Coated particles 日本化学工业株式会社 2022-10-04 — — CN disclosed
CN-114701223-A Solar cell backboard composite film and preparation method thereof 浙江中聚材料有限公司 2022-07-05 — — CN disclosed
US-4883732-A Method of forming printing plate using isoindolenine deratives BASF AKTIENGESELLSCHAFT (DE) 1989-11-28 — — US disclosed
US-4880718-A AS PHOTOSENSITIZERS AND CHARGE GENERATING COMPOUNDS; OFFSET PRINTING PLATES, COPIERS, PHOTORESISTS MADE USING LASERS; HIGH CONTRAST AND VOLTAGE BASF AKTIENGESELLSCHAFT (DE) 1989-11-14 — — US disclosed
EP-0318820-A2 Process for anodising surfaces of aluminium or aluminium alloys BASF Aktiengesellschaft (DE) 1989-06-07 — — EP disclosed
US-4612271-A Photosensitive composition comprising azo compounds FUJI PHOTO FILM CO., LTD. (JP) 1986-09-16 — — US disclosed
EP-0162216-A1 2,4,5-Triphenyl-1,2,3-triazoles and thier use BASF Aktiengesellschaft (DE) 1985-11-27 — — EP 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 (4 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-20090066234-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS MAP1LC3A, MAP1LC3C, CRY1 NPC1 3835/4885RAB9A 962/4885SMN1; SMN2 2322/4885
US-20120305895-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS ILK, CRY1, IK NPC1 3013/4885RAB9A 512/4885SMN1; SMN2 2301/4885
US-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 NPC1 3302/4885RAB9A 850/4885SMN1; SMN2 2606/4885
US-20120273765-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 NPC1 3302/4885RAB9A 850/4885SMN1; SMN2 2606/4885

“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.