SCHEMBL3702383

SCHEMBL3702383

NC[C@@H](Cl)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
HIF1A Q16665 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GABBR2 O75899 6/20 0.47
GABBR1 Q9UBS5 6/20 0.47
LMNA P02545 5/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 2/20 0.47
THRB P10828 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL3317983 1.00 TSHR (0.48) TSHRMAPK1HIF1ATDP1GABBR2
SCHEMBL3695940 1.00 TSHR (0.48) TSHRMAPK1HIF1ATDP1GABBR2
SCHEMBL6398941 0.78 TAAR1 (0.39) TDP1LMNACYP1A2SMN1; SMN2CHRNA7
SCHEMBL1978520 0.77 CHRNA7 (0.68) TSHRGABBR2GABBR1LMNACYP2C9
SCHEMBL10507284 0.77 GABBR2 (0.64) TSHRMAPK1HIF1ATDP1GABBR2
SCHEMBL3406287 0.77 TAAR1 (0.59) TSHRGABBR2GABBR1CYP2C9CYP1A2
SCHEMBL3167744 0.77 TSHR (0.50) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL28527237 0.77 TAAR1 (0.59) TSHRGABBR2GABBR1CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL8120982 0.75 TAAR1 (0.56) TSHRGABBR2GABBR1SLC6A4SLC6A3
SCHEMBL1953110 0.75 ADRB2 (0.52) TSHRGABBR2GABBR1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2712865-B1 Improved process for the preparation of ambrisentan CADILA HEALTHCARE LTD (IN) 2016-03-16 EP disclosed
US-8962832-B2 Process for the preparation of ambrisentan and novel intermediates thereof CADILA HEALTHCARE LIMITED (IN) 2015-02-24 US disclosed
EP-2451786-B1 IMPROVED PROCESS FOR THE PREPARATION OF AMBRISENTAN AND NOVEL INTERMEDIATES THEREOF CADILA HEALTHCARE LTD (IN) 2014-01-22 EP disclosed
US-20120184573-A1 PROCESS FOR THE PREPARATION OF AMBRISENTAN AND NOVEL INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2012-07-19 US disclosed
EP-2451786-A2 IMPROVED PROCESS FOR THE PREPARATION OF AMBRISENTAN AND NOVEL INTERMEDIATES THEREOF Cadila Healthcare Limited (IN) 2012-05-16 EP 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-20120184573-A1 PROCESS FOR THE PREPARATION OF AMBRISENTAN AND NOVEL INTERMEDIATES THEREOF ACVR1, ACVR1B, CYP11B1 TSHR 2213/4885MAPK1 1319/4885HIF1A 2450/4885

“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.