SCHEMBL3902187

SCHEMBL3902187

Cc1cc(C=O)nn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
P2RX7 Q99572 1/20 0.33
LMNA P02545 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAPT P10636 3/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4099414 0.75 NPC1 (0.40) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL2517751 0.71 MAPK1 (0.51) RAB9ANPC1P2RX7LMNAKDM4C
SCHEMBL5354010 0.68 CYP11B1 (0.37) RAB9AP2RX7LMNAALDH1A1TSHR
SCHEMBL948070 0.68 P2RX7 (0.37) RAB9AP2RX7LMNAALDH1A1CYP11B1
SCHEMBL16388274 0.68 ALDH1A1 (0.46) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL6864172 0.68 POLB (0.40) RAB9ANPC1LMNAALDH1A1TSHR
SCHEMBL17259215 0.68 P2RY6 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL24797989 0.67 FAAH (0.44) LMNAKDM4EMEN1KMT2A
Methylene Chloride SCHEMBL6533812 0.67 MAPK1 (0.47) RAB9ANPC1P2RX7LMNAKDM4C
SCHEMBL1043577 0.65

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-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 EP 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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 RAB9A 4356/4885NPC1 2367/4885P2RX7 1576/4885

“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.