SCHEMBL2165572

SCHEMBL2165572

c1ccc([N]c2ccc3c(c2)Cc2ccccc2-3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 5/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP2C19 P33261 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 4/20 0.50
SRD5A2 P31213 1/20 0.50
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL2168127 0.94 SMN1; SMN2 (0.57) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL2522348 0.86 ALDH1A1 (0.52) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL13747160 0.79 ALDH1A1 (0.53) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL6241465 0.79 CYP1A2 (0.59) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL3741810 0.79 ALDH1A1 (0.50) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL3741806 0.79 ALDH1A1 (0.50) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL2720506 0.77 ALDH1A1 (0.70) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL18065739 0.76 ALDH1A1 (0.55) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL12416593 0.76 CYP1A2 (0.69) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL672776 0.75 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US claimed
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
US-7985885-B2 Terphenylene derivative, tetrahaloterphenyl derivative, and processes for producing both TOSOH CORPORATION (JP) 2011-07-26 US disclosed
US-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TOSOH CORPORATION (JP) 2009-01-22 US disclosed
EP-1035114-B1 Processes for the preparation of nitrogen-heterocyclic compounds TOSOH CORP (JP) 2004-11-24 EP disclosed
US-6346621-B1 INDOLE OR QUINOLINE COMPOUNDS SUBSTITUTED WITH AMINO COMPOUNDS ON NITROGEN TOSOH CORPORATION (JP) 2002-02-12 US disclosed
EP-1035114-A2 Nitrogen-heterocyclic compounds and process for production thereof TOSOH CORPORATION (JP) 2000-09-13 EP 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-20090023957-A1 TERPHENYLENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING BOTH TERT, TLN1, TTI1 CYP1A2 343/4885CYP3A4 277/4885ALDH1A1 954/4885

“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.