SCHEMBL5239392

SCHEMBL5239392

OC1(C=Cc2ccc(F)cc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
MAOB P27338 1/20 0.40
TNFRSF1A P19438 1/20 0.40
TRPA1 O75762 2/20 0.39
NFE2L2 Q16236 4/20 0.38
PTGS1 P23219 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.35
IKBKB O14920 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
DPP4 P27487 1/20 0.35
MMP3 P08254 1/20 0.35
MMP10 P09238 1/20 0.35

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
SCHEMBL5239384 1.00 HSD11B1 (0.43) HSD11B1MAOBTNFRSF1ATRPA1NFE2L2
SCHEMBL5236707 0.82 OPRM1 (0.42) MAOBTNFRSF1AALDH1A1LMNA
SCHEMBL5236717 0.82 OPRM1 (0.42) MAOBTNFRSF1AALDH1A1LMNA
SCHEMBL2238891 0.79 JUN (0.43) ALDH1A1ALOX5
SCHEMBL2238896 0.79 JUN (0.43) ALDH1A1ALOX5
SCHEMBL14782981 0.75 PTP4A3 (0.43) ALDH1A1
SCHEMBL14782980 0.75 PTP4A3 (0.43) ALDH1A1
Trifluoroacetic Acid SCHEMBL2238735 0.72 JUN (0.41) MAOBALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL2238726 0.72 JUN (0.41) MAOBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL31556486 0.72 CYP1A2 (0.44) MAOBPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 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 (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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 HSD11B1 986/4885MAOB 106/4885TNFRSF1A 1175/4885

“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.