SCHEMBL6310490

SCHEMBL6310490

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Oc2ccnc(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.62
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 2/20 0.41
KDR P35968 1/20 0.39
MMP13 P45452 2/20 0.38
NPC1 O15118 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SLC2A1 P11166 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL6310498 1.00 CHRNA7 (0.62) CHRNA7MEN1KMT2AUSP30KDR
SCHEMBL6310436 0.95 CHRNA7 (0.55) CHRNA7MEN1KMT2AUSP30KDR
SCHEMBL6303153 0.87 CHRNA7 (0.66) CHRNA7USP30MMP13HTR3EHTR3B
SCHEMBL6303155 0.87 CHRNA7 (0.66) CHRNA7USP30MMP13HTR3EHTR3B
SCHEMBL6310991 0.85 CHRNA7 (0.64) CHRNA7USP30MMP13HTR3EHTR3B
SCHEMBL6311000 0.85 CHRNA7 (0.64) CHRNA7USP30MMP13HTR3EHTR3B
SCHEMBL6303396 0.85 CHRNA7 (0.86) CHRNA7MEN1KMT2AUSP30HTR3E
SCHEMBL6303394 0.85 CHRNA7 (0.86) CHRNA7MEN1KMT2AUSP30HTR3E
SCHEMBL6311604 0.84 CHRNA7 (0.68) CHRNA7USP30NPC1
SCHEMBL6311613 0.84 CHRNA7 (0.68) CHRNA7USP30NPC1

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-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885MEN1 715/4885KMT2A 3908/4885

“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.