SCHEMBL24517326

SCHEMBL24517326

CS(C)(C)C#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MARK4 Q96L34 4/20 0.46
▸ RAD51 Q06609 1/20 0.44
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC2A1 P11166 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ MBD2 Q9UBB5 1/20 0.38
▸ ALOX5 P09917 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
SCHEMBL22615008 0.85 RAB9A (0.47) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL24517687 0.83 NPC1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2MARK4
SCHEMBL24517305 0.82 KDM4E (0.53) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24517309 0.82 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL24517390 0.80 RAD51 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2RAD51
SCHEMBL24517330 0.80 PLAU (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL24517111 0.80 NPC1 (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL24517108 0.80 KDM4E (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL24517691 0.79 NTRK1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL24516940 0.78 ADORA1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — 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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 RAB9A 4268/4885NPC1 366/4885KMT2A 4487/4885

“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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