SCHEMBL16148679

SCHEMBL16148679

Clc1n[nH]cc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CALM1 P0DP23 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MET P08581 1/20 0.40
CTRC Q99895 2/20 0.40
DAO P14920 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
DPYD Q12882 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL27629487 0.78 PARP1 (0.43) MEN1KMT2ACALM1CYP3A4HPGD
SCHEMBL4857853 0.77 BCL2 (0.48) MEN1KMT2ACALM1CYP3A4HPGD
SCHEMBL22083543 0.77 DAO (0.43) MEN1KMT2ACALM1CYP3A4HPGD
SCHEMBL3501919 0.77 MPO (0.44) MEN1KMT2ACALM1CYP3A4MET
SCHEMBL29339712 0.74 TP53 (0.40) MEN1KMT2ACALM1HPGDMET
SCHEMBL7428528 0.74 BCL2 (0.46) MEN1KMT2ACALM1CYP3A4HPGD
SCHEMBL7421266 0.74 ALDH1A1 (0.40) MEN1KMT2ACALM1CYP3A4HPGD
SCHEMBL3318684 0.74 KMT2A (0.40) MEN1KMT2ACALM1CYP3A4HPGD
SCHEMBL13312253 0.73 MET (0.41) MEN1KMT2ACALM1CYP3A4MET
SCHEMBL26116113 0.73 HRH1 (0.42) MEN1KMT2ACALM1METBCL2

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-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
EP-2970298-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO disclosed
WO-2014164467-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 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 (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-20160016960-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS TYMP 17/4885MEN1 4470/4885KMT2A 3920/4885

“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.