SCHEMBL22624261

SCHEMBL22624261

NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1[C@H]1CC[C@@H](C2)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
TNIK Q9UKE5 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19807568 1.00 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL21702872 1.00 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL18231280 1.00 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL18231284 1.00 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19TNIK
Hydrochloric Acid SCHEMBL17969203 0.99 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL17018784 0.83 KCNH2 (0.49) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL18902219 0.83 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL17006378 0.82 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL19807565 0.82 CYP2C19 (0.39) KCNH2CYP3A4CYP2C9CYP2C19TNIK
SCHEMBL19807520 0.78 KCNH2 (0.62) KCNH2CYP3A4CYP2C9CYP2C19TNIK

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-11779573-B2 Crystalline forms of compounds for preventing or treating sensory hair cell death UNIVERSITY OF WASHINGTON (US) 2023-10-10 US disclosed
US-11779573-B2 Crystalline forms of compounds for preventing or treating sensory hair cell death UNIVERSITY OF WASHINGTON (US) 2023-10-10 US disclosed
US-20200345705-A1 CRYSTALLINE FORMS OF COMPOUNDS FOR PREVENTING OR TREATING SENSORY HAIR CELL DEATH UNIVERSITY OF WASHINGTON (US) 2020-11-05 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 (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-11779573-B2 Crystalline forms of compounds for preventing or treating sensory hair cell death CASP3, CASP4, CASP7 KCNH2 1386/4885CYP3A4 3117/4885CYP2C9 2961/4885
US-20200345705-A1 CRYSTALLINE FORMS OF COMPOUNDS FOR PREVENTING OR TREATING SENSORY HAIR CELL DEATH CASP3, CASP4, CASP7 KCNH2 1386/4885CYP3A4 3117/4885CYP2C9 2961/4885

“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.