SCHEMBL20116933

SCHEMBL20116933

O=C(CNC(=O)c1ccccc1)NCCc1nc(-c2ccccc2)no1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HPGD P15428 5/20 0.61
ALDH1A1 P00352 5/20 0.55
GAA P10253 3/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
TSHR P16473 2/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL20116932 0.85 KMT2A (0.71) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL14833395 0.83 CYP1A2 (0.68) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL18381343 0.81 CYP1A2 (0.72) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL2283701 0.76 HDAC4 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19HDAC1
SCHEMBL14846086 0.75 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL26690976 0.74 SPHK1 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL5330405 0.73 ALDH1A1 (0.83) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12696318 0.73 ALDH1A1 (0.70) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL15452657 0.71 ALDH1A1 (0.67) HPGDALDH1A1GAATSHRMEN1
SCHEMBL26198577 0.71 GAA (0.58) GAATSHRRECQLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CYP1A2 1091/4885CYP2D6 933/4885CYP2C9 1658/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CYP1A2 1091/4885CYP2D6 933/4885CYP2C9 1658/4885

“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.