SCHEMBL6310708

SCHEMBL6310708

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc(Sc2ncc(C(F)(F)F)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.53
PAK1 Q13153 1/20 0.37
HDAC4 P56524 9/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC1 Q13547 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 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
SCHEMBL6310713 1.00 CHRNA7 (0.53) CHRNA7PAK1HDAC4HDAC6HDAC1
SCHEMBL6305719 0.95 CHRNA7 (0.47) CHRNA7PAK1HDAC4HDAC6HDAC1
SCHEMBL6305945 0.87 CHRNA7 (0.61) CHRNA7KMT2A
SCHEMBL6305943 0.87 CHRNA7 (0.61) CHRNA7KMT2A
SCHEMBL6304479 0.84 CHRNA7 (0.53) CHRNA7PAK1KMT2AHPGDS
SCHEMBL6304476 0.84 CHRNA7 (0.53) CHRNA7PAK1KMT2AHPGDS
SCHEMBL6311473 0.84 CHRNA7 (0.54) CHRNA7KMT2A
SCHEMBL6881192 0.83 CHRNA7 (0.61) CHRNA7KMT2A
SCHEMBL6305702 0.82 CHRNA7 (0.54) CHRNA7KMT2A
SCHEMBL6303356 0.81 CHRNA7 (0.57) CHRNA7

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 8 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
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO 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 2937/4885PAK1 2909/4885HDAC4 1882/4885

“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.