SCHEMBL1798912

SCHEMBL1798912

Cc1cc(C)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
POLB P06746 2/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ESR1 P03372 1/20 0.60
CHEK2 O96017 5/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ABL1 P00519 2/20 0.57
FABP6 P51161 1/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
METAP1 P53582 1/20 0.57
ABCC4 O15439 1/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL1798908 0.90 ALDH1A1 (0.51) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL2243148 0.80 CHEK2 (0.80) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799622 0.80 ALDH1A1 (0.60) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL12909208 0.79 ALDH1A1 (1.00) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1799757 0.79 ALDH1A1 (0.62) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1798295 0.78 ALDH1A1 (0.60) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL1803420 0.78 ESR1 (0.70) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL27765862 0.77 CHEK2 (0.78) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL18890638 0.77 ALDH1A1 (0.63) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2
SCHEMBL11035024 0.76 METAP1 (0.70) ALDH1A1HPGDPOLBRAB9ASMN1; SMN2

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
EP-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 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-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE PTGS1, PTGIS, PTGES ALDH1A1 368/4885HPGD 16/4885POLB 991/4885

“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.