SCHEMBL17533872

SCHEMBL17533872

Clc1ccc2[nH]c(N3CCNCC3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.53
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
BPTF Q12830 1/20 0.45
HPGD P15428 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.39

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
SCHEMBL19408089 0.86 GFER (0.54) HTR3AALDH1A1HPGDMEN1CYP1A2
SCHEMBL17533875 0.81 TSHR (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17513496 0.77 PRMT5 (0.35) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19408064 0.76 HPGD (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4495776 0.75 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17533876 0.74 TSHR (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL12603506 0.74 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17533874 0.72 KCNH2 (0.51) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL17533871 0.70 GRIN2B (0.49) HPGDMEN1KMT2ANPC1TP53
SCHEMBL19378071 0.70 GRIN2B (0.38)

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 3 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 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 HTR3A 3138/4885HTR3E 2492/4885HTR3B 2528/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 HTR3A 3138/4885HTR3E 2492/4885HTR3B 2528/4885

“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.