SCHEMBL649403

SCHEMBL649403

NC(=O)c1occ2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 6/20 0.40
GAA P10253 2/20 0.40
TEAD1 P28347 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
HSD17B10 Q99714 5/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 2/20 0.37
MAPK10 P53779 2/20 0.37
AHR P35869 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
POLB P06746 2/20 0.37
CYP2C19 P33261 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
RECQL P46063 1/20 0.37

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
Cyclohexane SCHEMBL1747897 0.94 ALDH1A1 (0.40) ALDH1A1KDM4EGAATEAD1YAP1
SCHEMBL16292878 0.83 KDM4E (0.38) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL5353695 0.82 KDM4E (0.36) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL547449 0.82 KDM4E (0.45) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL7142680 0.80 KDM4E (0.41) ALDH1A1KDM4EGAATEAD1YAP1
Hydrochloric Acid SCHEMBL11395268 0.80 LDHA (0.44) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL3383913 0.80 KDM4E (0.35) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL826674 0.80 KDM4E (0.35) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL9565260 0.80 KDM4E (0.35) ALDH1A1KDM4EGAAHSD17B10TSHR
SCHEMBL5309791 0.80 CA12 (0.37) ALDH1A1KDM4EGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517707-A1 TREATMENT FOR DEPRESSION AND ANXIETY WITH THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT Pfizer Products Inc. (US) 2005-03-30 EP claimed
US-20030235631-A1 Combination treatment for depression and anxiety PFIZER INC. 2003-12-25 US claimed
WO-2003105902-A1 TREATMENT FOR DEPRESSION AND ANXIETY BY THE COMBINATION OF A PDE IV INHIBITOR AND AN ANTIDEPRESSANT OR AN ANXIOLYTIC AGENT PFIZER PRODUCTS INC. (US) 2003-12-24 WO claimed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US claimed
US-20240050363-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI YONSUN BIOTECHNOLOGY CO., LTD. (CN) 2024-02-15 US disclosed
EP-4268802-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Yonsun Biotechnology Co., Ltd. (CN) 2023-11-01 EP disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
WO-2022135343-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 上海博志研新药物技术有限公司 2022-06-30 WO disclosed
CN-113975279-A Application of vilazodone and derivatives thereof in preparation of antitumor drugs 复旦大学附属肿瘤医院 2022-01-28 CN disclosed
CN-112574054-A Efficient nitriding reagent and application thereof 北京大学 2021-03-30 CN disclosed
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-03 US disclosed
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base DR. REDDY'S LABORATORIES LIMITED (IN) 2018-07-03 US disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 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-20240050363-A1 VILAZODONE PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF VPS51, VARS1, VMA21 ALDH1A1 1372/4885KDM4E 1638/4885GAA 1370/4885
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base VIL1, VMA21, PYGL ALDH1A1 2208/4885KDM4E 1699/4885GAA 464/4885
US-20030235631-A1 Combination treatment for depression and anxiety PDE3B, PDE2A, PDE3A ALDH1A1 281/4885KDM4E 1433/4885GAA 188/4885
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL ALDH1A1 2208/4885KDM4E 1699/4885GAA 464/4885

“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.