SCHEMBL17173641

SCHEMBL17173641

CC(C)(C)c1ncc(C(C)(C)O)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
PLAU P00749 1/20 0.34
CYP11B2 P19099 3/20 0.34
CYP11B1 P15538 2/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
GCK P35557 1/20 0.32
GCKR Q14397 1/20 0.32
MAP3K5 Q99683 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL18417644 0.88 ALDH1A1 (0.34) ALDH1A1PLAUSMN1; SMN2MAPK1KMT2A
SCHEMBL17173649 0.82 ALDH1A1 (0.39) ALDH1A1PLAUSMN1; SMN2MAPK1KMT2A
SCHEMBL12871592 0.82 ALDH1A1 (0.50) ALDH1A1PLAUSMN1; SMN2MAPK1KMT2A
SCHEMBL18843472 0.82 ALDH1A1 (0.32) ALDH1A1PLAUSMN1; SMN2KMT2AKDM4E
SCHEMBL2415072 0.82 ALDH1A1 (0.42) ALDH1A1PLAUCYP11B2CYP11B1MAOB
SCHEMBL17177782 0.80 CHRNB2 (0.38) ALDH1A1PLAUCYP11B2CYP11B1MAOB
SCHEMBL370663 0.78 HSD17B10 (0.36) ALDH1A1SMN1; SMN2KDM4ECYP2C19
SCHEMBL10204664 0.77 LMNA (0.39) ALDH1A1PLAUSMN1; SMN2MAPK1KMT2A
SCHEMBL21419053 0.76 KMT2A (0.46) ALDH1A1CYP11B2MAOBSMN1; SMN2MAPK1
SCHEMBL17196427 0.76 L3MBTL1 (0.42) ALDH1A1MAOBKMT2ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 US disclosed
US-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 US disclosed
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 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 (5 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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 ALDH1A1 3050/4885PLAU 399/4885CYP11B2 2482/4885
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C ALDH1A1 2565/4885PLAU 4811/4885CYP11B2 1215/4885
US-20150291572-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C ALDH1A1 2565/4885PLAU 4811/4885CYP11B2 1215/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 ALDH1A1 2620/4885PLAU 496/4885CYP11B2 1304/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 ALDH1A1 3050/4885PLAU 399/4885CYP11B2 2482/4885

“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.