SCHEMBL3474918

SCHEMBL3474918

CC(C)(C)c1nc2ccc(Br)cc2n(CCNC(=O)CO)c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.51
RXFP1 Q9HBX9 1/20 0.39
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
ACSS2 Q9NR19 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3380088 0.87 SCD (0.42) SCDRXFP1MTNR1AMTNR1B
SCHEMBL3474111 0.85 BRD4 (0.40) SCDMTNR1AMTNR1BACSS2
SCHEMBL15147720 0.82 SCD (0.51) SCD
Hydrochloric Acid SCHEMBL3473806 0.78 MAPT (0.36) RXFP1ACSS2TP53MAPTSMN1; SMN2
SCHEMBL1181961 0.78 SCD (0.47) SCDRXFP1MTNR1AMTNR1B
SCHEMBL1183031 0.74 SCD (0.44) SCD
SCHEMBL3346416 0.74 KMT2A (0.44) EGLN1TP53MAPTSMN1; SMN2
SCHEMBL1182983 0.67 SCD (0.66) SCDMTNR1AMTNR1B
SCHEMBL28717999 0.66 MAPT (0.46) EGLN1TP53MAPTSMN1; SMN2
SCHEMBL3474513 0.66 SCD (0.44) SCDMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 (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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885RXFP1 392/4885MTNR1A 654/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCD 2432/4885RXFP1 392/4885MTNR1A 654/4885

“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.