SCHEMBL464099

SCHEMBL464099

CCCCn1ccc2ccccc21

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.78
CCND1 P24385 4/20 0.78
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
LMNA P02545 1/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
TLR8 Q9NR97 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
SMPD1 P17405 1/20 0.49
P2RX7 Q99572 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ABCB1 P08183 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
SCHEMBL29374771 1.00 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL4554026 0.94 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30495581 0.94 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
Biphenyl SCHEMBL28740978 0.93 CDK4 (0.68) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL19748097 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30376 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29767815 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL31454116 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL4976386 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL28107377 0.93 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028655-B 2-trifluoromethyl-3-iodo-indole compound and preparation method thereof 上海大学 2024-01-16 CN claimed
CN-115028655-A 2-trifluoromethyl-3-iodine-indole compound and preparation method thereof 上海大学 2022-09-09 CN claimed
CN-104788328-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2015-07-22 CN claimed
CN-103641765-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2014-03-19 CN claimed
US-20070207284-A1 Barrier article and method MCCLINTIC SHAWN A 2007-09-06 US claimed
US-6513439-B2 Apparatus for marking a target DON-B CORPORATION 2003-02-04 US claimed
CN-115028655-B 2-trifluoromethyl-3-iodo-indole compound and preparation method thereof 上海大学 2024-01-16 CN disclosed
CN-117024325-A Double-indole-containing quaternary ammonium salt, preparation method and application of double-indole-containing quaternary ammonium salt in catalytic preparation of five-membered ring carbonate 浙江众立合成材料科技股份有限公司 2023-11-10 CN disclosed
CN-115232051-B Method for preparing N-substituted indole derivative 华中科技大学 2023-07-25 CN disclosed
CN-116332979-A 3-indole-o-carborane methanol derivative and green synthesis method thereof 西南科技大学 2023-06-27 CN disclosed
CN-115232051-A Method for preparing N-substituted indole derivative 华中科技大学 2022-10-25 CN disclosed
CN-115028655-A 2-trifluoromethyl-3-iodine-indole compound and preparation method thereof 上海大学 2022-09-09 CN disclosed
US-11319540-B2 HIF 1-alpha antisense oligonucleotides OLIPASS CORPORATION (KR) 2022-05-03 US disclosed
EP-0574618-A1 Thermally transferable fluorescent compounds AGFA-GEVAERT N.V. (BE) 1993-12-22 EP disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
CN-1078469-A Substituted indole, the assorted indoles of ammonia and tetrahydro-1 H-pyrrolo be [2,3-c] pyridin-7-one derivatives also SYTEX A INC (US) 1993-11-17 CN disclosed
EP-0471609-A1 Benzofuran Derivatives, Benzothiophenes, Indoles or Indolizines, Process for Production and Compositions containing them SANOFI (FR) 1992-02-19 EP disclosed
US-4525588-A FOR HEAT AND PRESSURE SENSITIVE RECORDING MATERIALS CIBA GEIGY CORPORATION (US) 1985-06-25 US disclosed
US-4138396-A Pyridyl-azo-indolyl cationic dyes CIBA-GEIGY CORPORATION (US) 1979-02-06 US disclosed
US-3969346-A Naphtholactamcarbinols color formers, their manufacture and use in pressure-sensitive or thermoreactive recording material CIBA-GEIGY CORPORATION (US) 1976-07-13 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-11319540-B2 HIF 1-alpha antisense oligonucleotides HIF1A, HIF1AN, UPF1 CDK4 2157/4885CCND1 2310/4885HTR2A 3918/4885

“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.