SCHEMBL19282953

SCHEMBL19282953

COc1ccc([C@@H](N)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.56
CA4 P22748 1/20 0.54
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
PBRM1 Q86U86 1/20 0.50
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
NR3C2 P08235 1/20 0.50
AR P10275 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL2153572 1.00 ACP3 (0.56) ACP3CA4LTA4HALDH1A1CYP1A2
Bromide SCHEMBL7650394 0.98 ACP3 (0.55) ACP3CA4LTA4HALDH1A1CYP1A2
SCHEMBL11475903 0.91 CA1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C19CA12
SCHEMBL114318 0.91 CA1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C19CA12
SCHEMBL23349203 0.90 LTA4H (0.69) ACP3CA4LTA4HALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL6422238 0.89 CYP1A2 (0.55) ACP3ALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL8894706 0.89 CYP1A2 (0.55) ALDH1A1CYP1A2CYP2D6CYP2C19CA12
SCHEMBL11478868 0.88 CYP1A2 (0.47) ACP3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3253569 0.87 DPP4 (0.61) ACP3CA4LTA4HALDH1A1CYP1A2
SCHEMBL13298408 0.87 DPP4 (0.61) ACP3CA4LTA4HALDH1A1CYP1A2

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
EP-3548034-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES Microbiotix, Inc. (US) 2019-10-09 EP disclosed
WO-2018106667-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES MICROBIOTIX, INC. (US) 2018-06-14 WO disclosed
US-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-31 US 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-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 ACP3 2515/4885CA4 3701/4885LTA4H 2530/4885

“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.