SCHEMBL7500552

SCHEMBL7500552

COc1ccc(C(=O)/C=C/c2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.57
CYP1B1 Q16678 3/20 0.55
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP3A4 P08684 3/20 0.54
MAOB P27338 7/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
TNFRSF1A P19438 2/20 0.54
HSPD1 P10809 1/20 0.54
HSPE1 P61604 1/20 0.54
MAOA P21397 3/20 0.52
XDH P47989 2/20 0.52
P4HB P07237 1/20 0.52
CALM1 P0DP23 1/20 0.52
RAB9A P51151 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL7500553 1.00 F3 (0.57) F3CYP1B1CYP1A1CYP1A2CYP2D6
SCHEMBL7503560 0.86 ABCG2 (0.56) F3CYP1B1CYP1A1CYP1A2CYP2D6
SCHEMBL7503566 0.86 ABCG2 (0.56) F3CYP1B1CYP1A1CYP1A2CYP2D6
SCHEMBL7507526 0.84 ABCG2 (0.61) CYP1B1CYP1A1CYP1A2CYP2D6CYP3A4
SCHEMBL7507534 0.84 ABCG2 (0.61) CYP1B1CYP1A1CYP1A2CYP2D6CYP3A4
SCHEMBL7509406 0.84 RAB9A (0.50) CYP1B1CYP1A2CYP3A4MAOBMAPT
SCHEMBL7509401 0.84 RAB9A (0.50) CYP1B1CYP1A2CYP3A4MAOBMAPT
SCHEMBL20518159 0.83 ABCG2 (0.60) CYP1B1CYP1A1CYP1A2CYP2D6CYP3A4
SCHEMBL7500993 0.82 F3 (0.53) F3CYP1B1CYP3A4MAOBMAPT
SCHEMBL7500978 0.82 F3 (0.53) F3CYP1B1CYP3A4MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344001-B2 Azolylacryloyl derivatives as therapeutic agents for sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-07-09 US disclosed
US-10344001-B2 Azolylacryloyl derivatives as therapeutic agents for sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-07-09 US disclosed
US-20180282287-A1 AZOLYLACRYLOYL DERIVATIVES AS THERAPEUTIC AGENTS FOR SICKLE CELL DISEASE THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2018-10-04 US disclosed
EP-0924202-B1 Imidazole derivative and medicine comprising the same as active ingredient SSP CO LTD (JP) 2002-05-29 EP disclosed
US-6071943-A IMMUNOMODULATORS WHICH SUPPRESS SPECIFIC CYTOKINES, FOR AUTOIMMUNE DISEASES SSP CO. LTD. (JP) 2000-06-06 US disclosed
EP-0924202-A1 Imidazole derivative and medicine comprising the same as active ingredient SSP Co., Ltd. (JP) 1999-06-23 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 (2 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-10344001-B2 Azolylacryloyl derivatives as therapeutic agents for sickle cell disease HBG1, HIF1AN, TNNI3 F3 1374/4885CYP1B1 4048/4885CYP1A1 4240/4885
US-20180282287-A1 AZOLYLACRYLOYL DERIVATIVES AS THERAPEUTIC AGENTS FOR SICKLE CELL DISEASE HBG1, HIF1AN, TNNI3 F3 1374/4885CYP1B1 4048/4885CYP1A1 4240/4885

“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.