SCHEMBL600513

SCHEMBL600513

O=C1C=CC2=CN=NC2=C1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MDM2 Q00987 1/20 0.32
DHODH Q02127 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13280890 0.71 ALDH1A1 (0.32) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL592447 0.63 MAOA (0.54) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL4890519 0.62 ALDH1A1 (0.32) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL1628355 0.60
SCHEMBL219146 0.59
SCHEMBL8442480 0.59 ALDH1A1 (0.33) ALDH1A1BCHEPOLBMAOAACHE
SCHEMBL14249193 0.55
SCHEMBL12570784 0.55 MAOA (0.41) ALDH1A1BCHEPOLBMAOAACHE
Benzoquinone SCHEMBL460082 0.54 ALDH1A1 (1.00) ALDH1A1BCHEPOLBMAOAACHE
Benzoquinone SCHEMBL5308519 0.54 ALDH1A1 (1.00) ALDH1A1BCHEPOLBMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 WO claimed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US claimed
CN-117105958-A Method for preparing 5-HT3 receptor modulators 科岭源生物科技(深圳)有限公司 2023-11-24 CN disclosed
WO-2023138612-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-27 WO disclosed
WO-2022237890-A1 AZEPINE-TYPE FUSED RING COMPOUND AND PHARMACEUTICAL USE THEREOF 中国医药研究开发中心有限公司 2022-11-17 WO disclosed
WO-2020216203-A1 AZAZINOINDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 成都科岭源医药技术有限公司 2020-10-29 WO disclosed
CN-111825702-A Aza indazole derivative and preparation method and application thereof 成都科岭源医药技术有限公司 2020-10-27 CN disclosed
CN-111132964-A Glucocorticoid receptor modulators 欧瑞克制药公司 2020-05-08 CN disclosed
US-9511086-B2 Method for improving immune system function by administering agents that inhibit DNA-dependent protein kinase-directed apoptosis THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-12-06 US disclosed
US-20120039867-A1 Immune System Function in Conditions Characterized by Elevated Double Strand Breaks NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
WO-2004041191-A2 METHODS FOR THE TREATMENT, PREVENTION AND MANAGEMENT OF MACULAR DEGENERATION CELGENE CORPORATION (US) 2004-05-21 WO disclosed
WO-2004039325-A2 TREATMENT OF PAIN WITH JNK INHIBITORS CELGENE CORPORATION (US) 2004-05-13 WO disclosed
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC 2004-04-08 US disclosed
WO-2003102151-A2 MODULATING CELL DIFFERENTIATION AND TREATING MYELOPROLIFERTIVE DISORDERS WITH JNK/MKK INHIBITORS CELGENE CORPORATION (US) 2003-12-11 WO disclosed
WO-2003099221-A2 METHODS FOR USING JNK INHIBITORS FOR TREATING OR PREVENTING DISEASE-RELATED WASTING SIGNAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 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 (1 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-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 ALDH1A1 1939/4885BCHE 3297/4885POLB 1876/4885

“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.