SCHEMBL17099935

SCHEMBL17099935

COc1ccc(C(=O)NC#N)cc1.[KH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.59
▸ CA2 P00918 4/20 0.59
▸ PLK1 P53350 1/20 0.59
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ F10 P00742 2/20 0.53
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 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
SCHEMBL11665996 0.98 CA1 (0.61) CA1CA2PLK1NPC1RAB9A
SCHEMBL11705572 0.85 PLK1 (0.56) CA1CA2PLK1NPC1RAB9A
SCHEMBL21915125 0.85 ALDH1A1 (0.70) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL11038788 0.82 ALDH1A1 (0.41) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL11112693 0.80 CA1 (0.61) CA1CA2PLK1NPC1RAB9A
SCHEMBL2104786 0.79 KMT2A (0.56) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL31196532 0.79 CA1 (0.59) CA1CA2PLK1NPC1RAB9A
SCHEMBL4628703 0.77 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2CES2CES1
Hydrochloric Acid SCHEMBL8880498 0.77 CA1 (0.96) CA1CA2PLK1NPC1RAB9A
Hydrochloric Acid SCHEMBL11037223 0.77 PLK1 (0.96) CA1CA2PLK1NPC1RAB9A

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
EP-3119394-B1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES CURZA GLOBAL LLC (US) 2021-05-12 — — EP disclosed
US-10493061-B2 Compositions and methods comprising 2-(acylamino)imidazoles CURZA GLOBAL, LLC (US) 2019-12-03 — — US disclosed
US-20170100375-A1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-13 — — US disclosed
EP-3119394-A2 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES Curza Global LLC (US) 2017-01-25 — — EP disclosed
WO-2015143240-A2 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES CURZA GLOBAL, LLC (US) 2015-09-24 — — 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-10493061-B2 Compositions and methods comprising 2-(acylamino)imidazoles AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC6 CA1 1075/4885CA2 402/4885PLK1 308/4885
US-20170100375-A1 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC6 CA1 1075/4885CA2 402/4885PLK1 308/4885

“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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