SCHEMBL17212132

SCHEMBL17212132

O=[N+]([O-])c1ccc(NCS)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1830783 0.77 TSHR (0.58) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL11838149 0.77 CA1 (0.58) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL9137035 0.77 TSHR (0.58) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL18527719 0.75 TSHR (0.47) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL18527721 0.75 TSHR (0.47) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL18527905 0.75 TSHR (0.47) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL12651973 0.74 MEN1 (0.49) MAPTCA2POLBLMNAHTT
SCHEMBL10660218 0.74 TSHR (0.58) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL11263484 0.73 MEN1 (0.52) TSHRMAPK1ALDH1A1MAPTCA1
SCHEMBL9588169 0.73 MEN1 (0.52) TSHRMAPK1ALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TSHR 4602/4885MAPK1 2229/4885ALDH1A1 222/4885

“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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