SCHEMBL6312250

SCHEMBL6312250

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc(Oc2nccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.57
USP30 Q70CQ3 2/20 0.40
P2RX3 P56373 1/20 0.39
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP13 P45452 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
SCHEMBL6312248 1.00 CHRNA7 (0.57) CHRNA7USP30P2RX3HPGDSALDH1A1
SCHEMBL6305956 0.95 CHRNA7 (0.50) CHRNA7USP30P2RX3HPGDSALDH1A1
SCHEMBL6306301 0.84 CHRNA7 (0.57) CHRNA7USP30MMP13
SCHEMBL6306296 0.84 CHRNA7 (0.57) CHRNA7USP30MMP13
SCHEMBL6302992 0.82 CHRNA7 (0.54) CHRNA7
SCHEMBL6885048 0.81 CHRNA7 (0.60) CHRNA7
SCHEMBL6310366 0.81 CHRNA7 (0.60) CHRNA7USP30ALDH1A1MMP13
SCHEMBL6310372 0.81 CHRNA7 (0.60) CHRNA7USP30ALDH1A1MMP13
SCHEMBL6303120 0.80 CHRNA7 (0.67) CHRNA7USP30MMP13
SCHEMBL6306569 0.80 CHRNA7 (0.67) CHRNA7USP30ALDH1A1MMP13

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 2937/4885USP30 4046/4885P2RX3 1733/4885

“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.