SCHEMBL4452663

SCHEMBL4452663

O=C(NC1CCNCC1)C1Cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2S1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.43
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
EPHX2 P34913 4/20 0.37
KDM1A O60341 2/20 0.36
AR P10275 1/20 0.36
MMP2 P08253 3/20 0.36
MMP13 P45452 3/20 0.36
UTS2R Q9UKP6 1/20 0.36
PTGES O14684 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
LIPC P11150 1/20 0.35
MAOB P27338 1/20 0.35
DEGS1 O15121 1/20 0.35

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
SCHEMBL10130681 0.78 TEAD1 (0.38) TEAD1BCL9CTNNB1EPHX2KDM1A
SCHEMBL10127510 0.78 CHRM4 (0.44) TEAD1EPHX2
SCHEMBL4350210 0.76 MAOB (0.48) TEAD1BCL9CTNNB1KDM1AUTS2R
SCHEMBL649739 0.76 UTS2R (0.51) TEAD1UTS2R
SCHEMBL651149 0.76 UTS2R (0.56) TEAD1UTS2R
SCHEMBL647679 0.75 SLC6A4 (0.46) TEAD1BCL9CTNNB1EPHX2KDM1A
SCHEMBL648264 0.74 SLC6A4 (0.45) TEAD1BCL9CTNNB1KDM1AAR
Hydrochloric Acid SCHEMBL648678 0.74 SLC6A4 (0.45) TEAD1BCL9CTNNB1EPHX2KDM1A
SCHEMBL651078 0.74 RAB9A (0.46) TEAD1BCL9CTNNB1KDM1AAR
Hydrochloric Acid SCHEMBL647344 0.74 SLC6A4 (0.44) TEAD1BCL9CTNNB1KDM1AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 TEAD1 2575/4885BCL9 2443/4885CTNNB1 1662/4885

“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.