SCHEMBL226631

SCHEMBL226631

CCCC[Sn](CCCC)(CCCC)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
MC5R P33032 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL6412386 0.93 NPC1 (0.43) FBP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5953086 0.73 ALDH1A1 (0.48) FBP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2034241 0.71 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
2-Mercaptobenzothiazole SCHEMBL28518526 0.71 NPC1 (0.47) FBP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL175532 0.70 ALOX15 (0.60) RAB9AALDH1A1SMN1; SMN2L3MBTL1TDP1
Benzene SCHEMBL28273759 0.70 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL31173766 0.70 ALOX15 (0.60) RAB9AALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL11428596 0.70 NPC1 (0.53) FBP1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL659330 0.69 RAB9A (0.44) RAB9ADRD2ASIC3LOXL2
SCHEMBL11596488 0.69 ALOX15 (0.59) RAB9AALDH1A1SMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056589-A1 MENIN INHIBITORS AND METHODS OF USE FOR TREATING CANCER SERVIER PHARMACEUTICALS LLC (US) 2023-04-13 WO disclosed
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-10892421-B2 Organic small molecule semiconducting chromophores for use in organic electronic devices THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-10800750-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2020-10-13 US disclosed
CN-107580595-B Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2020-09-18 CN disclosed
EP-2643865-B1 ORGANIC SMALL MOLECULE SEMICONDUCTING CHROMOPHORES FOR USE IN ORGANIC ELECTRONIC DEVICES UNIV CALIFORNIA (US) 2020-09-09 EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20040132046-A1 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY (dA-dT)]2 binders LIGHT UP TECHNOLOGIES AB (SE) 2004-07-08 US disclosed
EP-1390433-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF POLY(DA-DT)] 2 BINDERS Light Up Technologies AB (SE) 2004-02-25 EP disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
WO-2002090443-A1 SYNTHESIS AND EVALUATION OF NEW CYANINE DYES AS MINOR GROOVE OF [POLY(DA-DT)]2 BINDERS LIGHT UP TECHNOLOGIES AB (SE) 2002-11-14 WO disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 WO 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 (9 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-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD FBP1 344/4885NPC1 369/4885RAB9A 2916/4885
US-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 FBP1 1814/4885NPC1 536/4885RAB9A 2259/4885
US-10892421-B2 Organic small molecule semiconducting chromophores for use in organic electronic devices PPOX, OCIAD2, CRY2 FBP1 3461/4885NPC1 4408/4885RAB9A 3368/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 FBP1 3379/4885NPC1 1180/4885RAB9A 1649/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD FBP1 445/4885NPC1 324/4885RAB9A 2631/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 FBP1 1814/4885NPC1 536/4885RAB9A 2259/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD FBP1 344/4885NPC1 369/4885RAB9A 2916/4885
US-20040132046-A1 Synthesis and evaluation of new cyanine dyes as minor groove of [POLY (dA-dT)]2 binders DRD4, FUT4, DRD1 FBP1 1656/4885NPC1 3194/4885RAB9A 3345/4885
US-10800750-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD FBP1 344/4885NPC1 369/4885RAB9A 2916/4885

“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.