SCHEMBL18762149

SCHEMBL18762149

Cc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
APOBEC3G Q9HC16 2/20 0.62
NT5E P21589 1/20 0.61
HSD17B10 Q99714 4/20 0.61
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.59
GFER P55789 1/20 0.59
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
APOBEC3A P31941 1/20 0.57
APOBEC3B Q9UH17 1/20 0.57
IDE P14735 1/20 0.57

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
SCHEMBL17318577 0.84 KDM4E (0.73) KMT2AKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL18292329 0.84 CSNK2A2 (0.74) KMT2AAPOBEC3GHSD17B10KDM4EALDH1A1
SCHEMBL17318712 0.84 MCL1 (0.68) KMT2AAPOBEC3GHSD17B10KDM4EALDH1A1
SCHEMBL17318569 0.82 NPC1 (0.65) KMT2AAPOBEC3GHSD17B10KDM4EALDH1A1
SCHEMBL17318656 0.82 APOBEC3G (0.58) KMT2AAPOBEC3GHSD17B10ALDH1A1NPSR1
SCHEMBL17318578 0.82 NPC1 (0.72) APOBEC3GHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL24232848 0.81 MCL1 (0.74) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8556554 0.81 KMT2A (0.75) KMT2AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL17318644 0.81 NPC1 (0.70) KMT2AAPOBEC3GKDM4EALDH1A1SMN1; SMN2
SCHEMBL17318609 0.81 ALDH1A1 (0.60) KMT2AAPOBEC3GHSD17B10KDM4EALDH1A1

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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 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-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 KMT2A 2451/4885APOBEC3G 268/4885NT5E 1264/4885

“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.