Sugi Predict

Sugi Predict / Compounds / SCHEMBL4386835

SCHEMBL4386835

SCHEMBL4386835

c1ccc2c(-n3cnnc3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ NPC1 O15118 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ HSD17B10 Q99714 6/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR5A P47898 1/20 0.44

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
SCHEMBL29462500 1.00 ALDH1A1 (0.56) ALDH1A1NPC1MAPK1POLBHSD17B10
SCHEMBL16111246 0.79 KDM4E (0.50) ALDH1A1CYP1A2CYP2D6NFKB1KDM4E
SCHEMBL1165271 0.77 POLB (0.53) ALDH1A1NPC1MAPK1POLBHSD17B10
SCHEMBL508849 0.76 IDO1 (0.58) ALDH1A1NPC1MAPK1POLBTSHR
Hydrochloric Acid SCHEMBL28957349 0.75 IDO1 (0.56) ALDH1A1NPC1MAPK1POLBTSHR
SCHEMBL9055547 0.73 MAPK1 (0.52) ALDH1A1NPC1MAPK1POLBHSD17B10
SCHEMBL15879736 0.72 ALDH1A1 (1.00) ALDH1A1NPC1MAPK1POLBHSD17B10
SCHEMBL18770820 0.72 POLB (0.63) ALDH1A1NPC1MAPK1POLBHSD17B10
SCHEMBL8990319 0.72 POLB (0.63) ALDH1A1NPC1MAPK1POLBHSD17B10
SCHEMBL30285929 0.72 POLB (0.63) ALDH1A1NPC1MAPK1POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314545-B2 Organic electroluminescence element PANASONIC CORPORATION (JP) 2012-11-20 — — US claimed
EP-3725781-B1 CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR MEDSHINE DISCOVERY INC (CN) 2022-11-30 — — EP disclosed
US-11352331-B2 Crystal and salt of 4-(naphthalen-1-yl)-4H-1,2,4-triazole compound and preparation method therefor MEDSHINE DISCOVERY (CN) 2022-06-07 — — US disclosed
US-11352331-B2 Crystal and salt of 4-(naphthalen-1-yl)-4H-1,2,4-triazole compound and preparation method therefor MEDSHINE DISCOVERY (CN) 2022-06-07 — — US disclosed
CN-111527073-B Crystal forms and salt forms of 4- (naphthalene-1-yl) -4H-1,2, 4-triazole compounds and preparation methods thereof 南京明德新药研发有限公司 2022-03-15 — — CN disclosed
CN-111527073-B Crystal forms and salt forms of 4- (naphthalene-1-yl) -4H-1,2, 4-triazole compounds and preparation methods thereof 南京明德新药研发有限公司 2022-03-15 — — CN disclosed
CN-111527073-B Crystal forms and salt forms of 4- (naphthalene-1-yl) -4H-1,2, 4-triazole compounds and preparation methods thereof 南京明德新药研发有限公司 2022-03-15 — — CN disclosed
EP-3725781-A4 CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR Medshine Discovery Inc. (CN) 2021-08-04 — — EP disclosed
US-20210078960-A1 CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR JIANGSU KANION PHARMACEUTICAL CO.,LTD (CN) 2021-03-18 — — US disclosed
US-20210078960-A1 CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR JIANGSU KANION PHARMACEUTICAL CO.,LTD (CN) 2021-03-18 — — US disclosed
CN-1271167-C Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2006-08-23 — — CN disclosed
CN-1271044-C Arylamine compound and organic electroluminescent device IDEMITSU KOSAN CO (JP) 2006-08-23 — — CN disclosed
CN-1775737-A Arylamine compound and organic electroluminescent device IDEMITSU KOSAN CO (JP) 2006-05-24 — — CN disclosed
CN-1721499-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2006-01-18 — — CN disclosed
CN-1219747-C Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2005-09-21 — — CN disclosed
CN-1174078-C Organic electroluminescent device ������������ʽ���� 2004-11-03 — — CN disclosed
CN-1388801-A Novel arylamine compound and organic electroluminescent device IDEMITSU KOSAN CO (JP) 2003-01-01 — — CN disclosed
CN-1327469-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2001-12-19 — — CN disclosed
CN-1327468-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2001-12-19 — — CN disclosed
CN-1292022-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2001-04-18 — — 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 (2 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-11352331-B2 Crystal and salt of 4-(naphthalen-1-yl)-4H-1,2,4-triazole compound and preparation method therefor CYP27A1, GOT1, NOD1 ALDH1A1 768/4885NPC1 86/4885MAPK1 884/4885
US-20210078960-A1 CRYSTAL AND SALT OF 4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE COMPOUND AND PREPARATION METHOD THEREFOR CYP27A1, GOT1, NOD1 ALDH1A1 768/4885NPC1 86/4885MAPK1 884/4885

“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.