SCHEMBL20150190

SCHEMBL20150190

CSc1cc(C(=O)NCC(C)(C)O)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
LMNA P02545 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.48
HSP90AA1 P07900 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 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
SCHEMBL20150202 0.81 NPC1 (0.47) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL16982333 0.80 LMNA (0.57) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11680786 0.75 CASP6 (0.64) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL11682676 0.72 MEN1 (0.49) MAPTCYP3A4HTTALDH1A1HPGD
SCHEMBL9366071 0.72 MAPT (0.58) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL15262908 0.70 ALDH1A1 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL3893570 0.70 MAPT (0.57) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL9361163 0.70 ALDH1A1 (0.57) MAPTLMNAHTTNPSR1ALDH1A1
SCHEMBL9361525 0.70 LMNA (0.57) MAPTLMNAALDH1A1HPGDHSP90AA1
SCHEMBL3538738 0.68 MAPT (0.82) MAPTLMNACYP1A2CYP3A4CYP2D6

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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885LMNA 2078/4885CYP1A2 3935/4885

“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.