SCHEMBL8312487

SCHEMBL8312487

CNC(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.56
KCNQ2 O43526 3/20 0.56
KCNE1 P15382 3/20 0.56
KCNQ1 P51787 3/20 0.56
KCNQ5 Q9NR82 2/20 0.56
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC2 Q92769 1/20 0.47
MAOB P27338 5/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
PYGL P06737 1/20 0.46
THRB P10828 1/20 0.45
PLAU P00749 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL532631 0.85 TAS1R3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1HDAC6
SCHEMBL4161973 0.82 MEN1 (0.61) HDAC6HDAC8HDAC2MAOBHPGD
SCHEMBL30147734 0.82 CES2 (0.59) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL531941 0.82 CES2 (0.59) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL20772312 0.81 KCNQ3 (0.56) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL6417276 0.81 POLB (0.57) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL11959873 0.79 TAS1R3 (0.59) HDAC6HDAC8HDAC2S1PR3PYGL
SCHEMBL3786490 0.79 SMN1; SMN2 (0.55) HDAC6HDAC8HDAC2PYGLPLAU
SCHEMBL1441177 0.79 HDAC6 (0.73) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL8515075 0.79 ESRRG (0.50) HDAC6HDAC1HDAC8HDAC2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (3 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KCNQ3 3954/4885KCNQ2 3669/4885KCNE1 3683/4885
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KCNQ3 566/4885KCNQ2 505/4885KCNE1 344/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 KCNQ3 3954/4885KCNQ2 3669/4885KCNE1 3683/4885

“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.