SCHEMBL17533778

SCHEMBL17533778

O=C(Cc1cc(Cl)cc(Cl)c1)N1CCCC(c2nc3nc(Cl)ccc3[nH]2)C1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.75
DGAT2 Q96PD7 10/20 0.46
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 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
SCHEMBL19408111 0.91 GRIN2B (0.70) GRIN2BDGAT2PKMHPGDCYP1A2
SCHEMBL17533777 0.90 GRIN2B (0.69) GRIN2BDGAT2PKMHPGDCYP1A2
SCHEMBL19399596 0.90 GRIN2B (0.69) GRIN2BDGAT2PKMHPGDCYP1A2
SCHEMBL17533781 0.86 GRIN2B (1.00) GRIN2BDGAT2CYP1A2CYP3A4CYP2D6
SCHEMBL17513471 0.85 GRIN2B (0.85) GRIN2BPKMHPGDCYP1A2CYP3A4
SCHEMBL17533858 0.85 GRIN2B (0.85) GRIN2BPKMHPGDCYP1A2CYP3A4
SCHEMBL17513473 0.85 GRIN2B (0.85) GRIN2BPKMHPGDCYP1A2CYP3A4
SCHEMBL17533806 0.83 GRIN2B (0.82) GRIN2BPKMHPGDCYP1A2CYP3A4
SCHEMBL17533780 0.83 GRIN2B (0.53) GRIN2B
SCHEMBL17513277 0.83 GRIN2B (0.75) GRIN2BPKMHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US claimed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 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 (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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 GRIN2B 1938/4885DGAT2 2308/4885PKM 3862/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 GRIN2B 1938/4885DGAT2 2308/4885PKM 3862/4885

“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.