SCHEMBL3510178

SCHEMBL3510178

Cc1cc(N)ccc1Oc1cccc(C(=O)NC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 3/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
GCK P35557 4/20 0.46
ERBB2 P04626 2/20 0.46
EGFR P00533 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TBXA2R P21731 1/20 0.41
F10 P00742 1/20 0.39
P2RX3 P56373 1/20 0.39

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
SCHEMBL3505758 0.87 EGFR (0.52) ALDH1A1LMNAERBB2EGFRKMT2A
SCHEMBL4460715 0.81 SLC7A5 (0.43) LMNAPGRARGCKCYP2C19
SCHEMBL3508731 0.81 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMAPTTBXA2R
SCHEMBL13342147 0.77 HDAC8 (0.67) ALDH1A1LMNAPGRGCKCYP2C9
SCHEMBL3043953 0.77 ALDH1A1 (0.54) ALDH1A1LMNAKMT2ACYP2C19
SCHEMBL2997554 0.77 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMAPT
SCHEMBL3484176 0.76 EGLN1 (0.38) MAPT
SCHEMBL3506152 0.76 MRGPRX4 (0.46) ALDH1A1LMNAERBB2EGFRKMT2A
Hydrochloric Acid SCHEMBL21198410 0.75 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ACYP2C19
Hydrochloric Acid SCHEMBL31306628 0.75 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216788-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 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-20100216788-A1 FUSED HETEROCYCLIC COMPOUND GRK6, FGFR1, PTK6 ALDH1A1 2073/4885LMNA 3796/4885PGR 191/4885

“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.