SCHEMBL23700667

SCHEMBL23700667

Nc1nc2ccc(C(=O)NCC(O)(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4(N)C(F)(F)F)C3CC3)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GPR183 P32249 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LIPC P11150 1/20 0.33
NAMPT P43490 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL23700666 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL23700664 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL29869134 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL23674635 0.90 CFTR (0.32) CYP2C19
SCHEMBL23674633 0.90 CFTR (0.32) CYP2C19
SCHEMBL23674634 0.90 CFTR (0.32) CYP2C19
SCHEMBL24985924 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL26526718 0.89 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL23674676 0.87 CFTR (0.33) ROCK2ROCK1
SCHEMBL23700560 0.87 CFTR (0.33) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN ALDH1A1 1686/4885MEN1 1492/4885KMT2A 2438/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN ALDH1A1 1686/4885MEN1 1492/4885KMT2A 2438/4885

“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.