SCHEMBL17211855

SCHEMBL17211855

CNC(=S)N/N=C/c1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ LMNA P02545 7/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ ALOX12 P18054 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ FAAH O00519 1/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL15694788 0.85 HTT (0.55) POLBHTTLMNANPSR1CYP1A2
SCHEMBL19441408 0.84 CYP1A2 (0.49) POLBLMNANPSR1CYP1A2CYP2C19
SCHEMBL17067820 0.82 CYP1A2 (0.67) POLBLMNANPSR1CYP1A2CYP2C19
SCHEMBL15694787 0.81 ALDH1A1 (0.56) HTTLMNANPSR1CYP1A2CYP2C19
SCHEMBL19441409 0.80 MAPT (0.47) LMNACYP1A2CYP2C19MAPTALDH1A1
SCHEMBL8645438 0.79 MAPT (0.50) LMNANPSR1CYP1A2CYP2C19MAPT
SCHEMBL4555171 0.78 CYP1A2 (0.62) POLBLMNANPSR1CYP1A2CYP2C19
SCHEMBL19449699 0.78 CYP1A2 (0.57) POLBLMNANPSR1CYP1A2CYP2C19
SCHEMBL10904748 0.76 CYP1A2 (0.68) POLBLMNANPSR1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL17560953 0.76 CYP1A2 (0.56) POLBLMNANPSR1CYP1A2CYP2C19

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
EP-2915806-B1 QUINOLINE COMPOUND AND USE THEREOF UNIV SHENYANG PHARMACEUTICAL (CN) 2018-04-25 — — EP disclosed
US-9783499-B2 Quinoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2017-10-10 — — US disclosed
US-20150307453-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR APPLICATIONS SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2015-10-29 — — US 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-20150307453-A1 NOVEL QUINOLINE DERIVATIVES AND THEIR APPLICATIONS MET, RAF1, RET POLB 4278/4885HTT 4338/4885LMNA 1971/4885

“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.

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