SCHEMBL3072972

SCHEMBL3072972

O=[N+]([O-])c1ccc(-c2nccs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.51
GAA P10253 4/20 0.51
MGAM O43451 3/20 0.51
SI P14410 3/20 0.51
MGAM2 Q2M2H8 3/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
STAT1 P42224 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
XDH P47989 1/20 0.48

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
SCHEMBL5505388 0.84 XDH (0.48) PDPK1LOXL2GAAMGAMSI
SCHEMBL22531043 0.81 HSPB1 (0.60) PDPK1GAAMGAMSIMGAM2
SCHEMBL2311878 0.80 MGAM (0.55) PDPK1GAAMGAMSIMGAM2
SCHEMBL722198 0.80 PDPK1 (0.77) PDPK1LOXL2ALDH1A1RAB9AADRB2
SCHEMBL27853756 0.78 ALDH1A1 (0.56) PDPK1LOXL2GAAMGAMSI
SCHEMBL1067139 0.78 MAPT (0.60) PDPK1LOXL2MAPTLMNAPOLB
SCHEMBL27694793 0.76 TDP1 (0.45) GAAMAPTLMNANPC1MEN1
SCHEMBL28152442 0.76 CYP19A1 (0.40) PDPK1LOXL2GAAMGAMSI
SCHEMBL27987415 0.76 MAPT (0.45) GAAMAPTLMNANPC1MEN1
SCHEMBL466424 0.75 PDPK1 (0.63) PDPK1LOXL2ADRB2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP claimed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US claimed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP claimed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO claimed
JP-6293746-A None JP disclosed
CN-111263756-B RAD51 inhibitors 赛泰尔治疗公司 2023-05-16 CN disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
CN-115677684-A Substituted aryl or heteroaryl compounds 先声药业有限公司 2023-02-03 CN disclosed
EP-3652159-B1 SUBSTITUTED THIAZOLE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER DISEASES, AUTOIMMUNE AND NEURODEGENERATIVE CONDITIONS CYTEIR THERAPEUTICS INC (US) 2023-01-18 EP disclosed
EP-3652159-B1 SUBSTITUTED THIAZOLE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER DISEASES, AUTOIMMUNE AND NEURODEGENERATIVE CONDITIONS CYTEIR THERAPEUTICS INC (US) 2023-01-18 EP disclosed
CN-115315423-A Substituted aryl compounds 先声药业有限公司 2022-11-08 CN disclosed
US-11291655-B2 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2022-04-05 US disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 WO disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
US-6197975-B1 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS MERCK & CO. , INC. 2001-03-06 US disclosed
CN-1209129-A Antagonists of gonadotropin releasing hormone MERCK & CO LTD (US) 1999-02-24 CN disclosed
EP-0882040-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-02-10 EP disclosed
EP-0882040-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997021707-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
JP-H06293746-A PRODUCTION OF (ALKOXYCYANOPHENYL)THIAZOLE DERIVATIVE TEIJIN LTD 1994-10-21 JP 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-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM PDPK1 1488/4885LOXL2 2883/4885GAA 4087/4885
US-11291655-B2 RAD51 inhibitors RAD51, MRE11, SSBP1 PDPK1 1241/4885LOXL2 3151/4885GAA 4039/4885

“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.