SCHEMBL4032070

SCHEMBL4032070

N#Cc1ccc2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.57
AR P10275 2/20 0.56
MAPT P10636 5/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
F2 P00734 1/20 0.52
GFER P55789 1/20 0.52
PARP1 P09874 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK10 P53779 1/20 0.49
RIPK1 Q13546 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL541264 0.97 MAPT (0.59) RORCARMAPTKMT2AMEN1
SCHEMBL9152103 0.87 MAPT (0.50) RORCARMAPTKMT2AMEN1
SCHEMBL16465177 0.81 TAAR1 (0.56) ARKMT2APARP1KDM4EMAPK10
SCHEMBL30570527 0.81 TAAR1 (0.56) ARKMT2APARP1KDM4EMAPK10
Hydrochloric Acid SCHEMBL23828300 0.80 TAAR1 (0.59) ARKMT2APARP1MAPK10RIPK1
SCHEMBL12868085 0.77 AR (0.49) ARKMT2AMEN1PARP1KDM4E
SCHEMBL13478788 0.77 KMT2A (0.60) RORCARMAPTKMT2AMEN1
SCHEMBL1887917 0.77 HTR1B (0.61) ARMAPTKMT2AMEN1PARP1
SCHEMBL7029893 0.77 AR (0.46) RORCARKMT2AMEN1PARP1
SCHEMBL1880461 0.77 HTR1B (0.61) ARMAPTKMT2AMEN1PARP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation KING ABDULAZIZ UNIVERSITY (SA) 2020-03-03 US disclosed
US-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation KING ABDULAZIZ UNIVERSITY (SA) 2020-03-03 US disclosed
EP-1902026-B1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) LILLY CO ELI (US) 2010-02-17 EP disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-5811551-A Palladium catalyzed indolization MERCK & CO., INC. (US) 1998-09-22 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-10577327-B2 Pyridine based ionic fluoride for catalyzing indole and tetrazole formation FLI1, ABL1, INMT RORC 744/4885AR 3210/4885MAPT 1723/4885

“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.