SCHEMBL4387353

SCHEMBL4387353

Cn1ccc2cccc(N)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
CYP3A4 P08684 4/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KEAP1 Q14145 1/20 0.38
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.36
CMA1 P23946 1/20 0.35
HTR3A P46098 1/20 0.34
CD44 P16070 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN11 Q06124 1/20 0.33
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 2/20 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
SCHEMBL30847966 1.00 PRKCI (0.39) PRKCICYP3A4TSHRALDH1A1HPGD
SCHEMBL436336 0.76 MEN1 (0.41) ALDH1A1CMA1PTPN11
SCHEMBL13836115 0.76 PSMD14 (0.37) PRKCICMA1PTPN11HTR2AHTR2C
SCHEMBL30109166 0.76 MEN1 (0.41) ALDH1A1CMA1PTPN11
SCHEMBL4951560 0.76 CYP3A4 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL29989147 0.74 CDK4 (0.41) PRKCICMA1
SCHEMBL2178459 0.74 CDK4 (0.43) PRKCIALDH1A1CMA1PTPN11
SCHEMBL2052186 0.74 CYP1A2 (0.38) ALDH1A1HPGDHSD17B10CMA1MAPT
SCHEMBL2625811 0.74 CDK4 (0.41) PRKCICMA1
SCHEMBL4953962 0.74 CYP3A4 (0.38) CYP3A4TSHRALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 US disclosed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 US disclosed
CN-118804911-A Acrylamide compound NRG治疗有限公司 2024-10-18 CN disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20240150321-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. 2024-05-09 US disclosed
US-20240148744-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES ZOETIS LLC 2024-05-09 US disclosed
US-20240150365-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. 2024-05-09 US disclosed
WO-2024044730-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
EP-3012258-A1 PYRAZOLO[1,5-A]PYRIMIDINES AND -TRIAZINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2016-04-27 EP disclosed
EP-2585467-B1 PYRAZOLO[1,5-A]PYRIMIDINES AND -TRIAZINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-03-02 EP disclosed
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 WO disclosed
WO-2011163518-A1 PYRAZOLO [1, 5 -A] PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2011-12-29 WO disclosed
EP-1551827-B1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS NOVARTIS AG (CH) 2009-12-02 EP disclosed
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors NOVARTIS AG 2008-10-09 US disclosed
US-7399771-B2 Piperidine derivatives as CCR5 inhibitors NOVARTIS AG (CH) 2008-07-15 US disclosed
US-20060004047-A1 Piperidine derivatives as ccr5 inhibitors NOVARTIS AG (CH) 2006-01-05 US disclosed
EP-1551827-A1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS Novartis AG (CH) 2005-07-13 EP disclosed
WO-2004031172-A1 PIPERIDINE DERIVATIVES AS CCR5 INHIBITORS NOVARTIS AG (CH) 2004-04-15 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 (5 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-20060004047-A1 Piperidine derivatives as ccr5 inhibitors CCR5, CCR2, CCR1 PRKCI 1786/4885CYP3A4 3290/4885TSHR 1041/4885
US-20240150321-A1 PYRAZOLYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL3 PRKCI 235/4885CYP3A4 1224/4885TSHR 3346/4885
US-20240148744-A1 SULFONAMIDES AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES ARSA, MRPS2, SULT2A1 PRKCI 4139/4885CYP3A4 1243/4885TSHR 966/4885
US-20240150365-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B PRKCI 791/4885CYP3A4 1034/4885TSHR 3380/4885
US-20080249111-A1 Piperdine Derivatives as CCR5 Inhibitors CCR5, CCR2, CCR1 PRKCI 1464/4885CYP3A4 3082/4885TSHR 1049/4885

“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.