SCHEMBL15724948

SCHEMBL15724948

c1ccc(CC2N=NC(c3ccccc3)=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.34
CES2 O00748 2/20 0.34
NOS1 P29475 4/20 0.33
NOS2 P35228 4/20 0.33
NOS3 P29474 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
GBA1 P04062 1/20 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
SCHEMBL12975205 0.69 ALDH1A1 (0.36) CES2POLB
SCHEMBL22473731 0.68 ALDH1A1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL27573636 0.68 TAAR1 (0.35) TAAR1CES2NOS1NOS2NOS3
SCHEMBL11267030 0.67 TAAR1 (0.40) TAAR1NOS1NOS2NOS3GBA1
SCHEMBL10475464 0.65 CALM1 (0.39) TAAR1NOS1NOS2GBA1
SCHEMBL6432088 0.59 SLC6A2 (0.44) TAAR1GBA1
SCHEMBL31231840 0.59 TLR9 (0.47) TAAR1GBA1
SCHEMBL21151453 0.57 ALDH1A1 (0.53) TAAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL4357593 0.56 CALM1 (0.45) GBA1
Biphenyl SCHEMBL23456981 0.55 ALDH1A1 (0.60) TAAR1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
US-9447246-B2 Method of covalently bonding an organic metal complex to a polymer CYNORA GMBH (DE) 2016-09-20 US disclosed
US-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER CYNORA GMBH (DE) 2014-05-22 US disclosed
US-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER CYNORA GMBH (DE) 2014-05-22 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-20140142259-A1 METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER PICALM, LIG4, OSTC TAAR1 4570/4885CES2 2227/4885NOS1 1681/4885

“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.