SCHEMBL3886508

SCHEMBL3886508

CCc1cccc2c[nH]cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
DAO P14920 2/20 0.39
DDO Q99489 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CFTR P13569 1/20 0.37
SLC9A1 P19634 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL30239860 0.81 TAAR1 (0.39)
SCHEMBL7536240 0.80 TLR8 (0.43)
SCHEMBL3818954 0.79 TDP1 (0.33) ALDH1A1LMNATDP1GAACYP1A2
SCHEMBL6871577 0.79 PNMT (0.39) ALDH1A1TDP1CYP1A2CYP2C19
SCHEMBL24499204 0.79 RIPK1 (0.36) TDP1CYP1A2CYP2D6CYP2C19
SCHEMBL19463742 0.77 TDP1 (0.44) ALDH1A1LMNAHTTTDP1MEN1
SCHEMBL476971 0.77 NQO2 (0.55) MEN1KMT2AMAPT
SCHEMBL476970 0.74 MTNR1A (0.54) LMNAMEN1KMT2AKDM4E
SCHEMBL5159102 0.73 MEN1 (0.60) ALDH1A1TDP1MEN1KMT2ACYP1A2
SCHEMBL27448488 0.73 MEN1 (0.35) DAOMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491745-B2 Pyrrole-Type compounds, compositions and methods for treating cancer or viral disease GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-02-17 US disclosed
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide GEMIN X BIOTECHNOLOGIES INC. (CA) 2007-02-15 US disclosed
US-6602879-B2 For inhibiting the replication or infectivity of a virus; therapy GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-08-05 US disclosed
US-6407244-B1 ANTIPROLIFERATIVE AGENT GEMIN X BIOTECHNOLOGIES INC. (CA) 2002-06-18 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-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide POLI, PCNA, ELL GABRA1 4389/4885GABRB2 4428/4885ALDH1A1 2915/4885

“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.