SCHEMBL6166711

SCHEMBL6166711

Cc1cc(Br)ccc1NC(=O)OCc1cc2cc(-c3cccnc3)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
POLB P06746 4/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
MAPT P10636 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
PGR P06401 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP19A1 P11511 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
SCHEMBL6163659 0.85 PIM1 (0.51) PIM1PIM2POLBRAB9AKMT2A
SCHEMBL6164788 0.80 PIM1 (0.49) PIM1PIM2MAPTPGRS1PR1
SCHEMBL6163678 0.80 PIM1 (0.49) PIM1PIM2MAPTPGRS1PR1
SCHEMBL6163347 0.80 TRPM2 (0.48) PIM1POLBRAB9AKMT2ANPC1
SCHEMBL6163992 0.78 PIM1 (0.49) PIM1PIM2POLBRAB9AKMT2A
SCHEMBL14350755 0.77 PIM1 (0.61) PIM1PIM2CYP11B1CYP11B2MAOA
SCHEMBL5778846 0.75 RAB9A (0.43) PIM1PIM2POLBRAB9AKMT2A
SCHEMBL5774221 0.75 KDM4C (0.47) PIM1PIM2MAOB
SCHEMBL6164267 0.74 CA12 (0.41) PIM1POLBKMT2AMAOB
SCHEMBL5397082 0.73 PIM1 (0.52) PIM1PIM2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R PIM1 2308/4885PIM2 2267/4885POLB 3339/4885

“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.