SCHEMBL19975439

SCHEMBL19975439

CC(NC(=O)c1ccncc1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
NAMPT P43490 2/20 0.48
ROCK2 O75116 6/20 0.48
ROCK1 Q13464 1/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
PREP P48147 2/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
MMP13 P45452 1/20 0.43
CTSB P07858 1/20 0.43
MLYCD O95822 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL21176167 0.88 ALDH1A1 (0.55) ALDH1A1CTSLCTSSMMP13CTSB
SCHEMBL19975354 0.87 ALDH1A1 (0.53) ALDH1A1CTSLCTSSCTSB
SCHEMBL19974995 0.86 ALDH1A1 (0.48) ALDH1A1NAMPTROCK2ROCK1CTSL
SCHEMBL19974729 0.84 ALDH1A1 (0.50) ALDH1A1CTSLCTSSPREPFAP
SCHEMBL21176169 0.84 SMYD3 (0.45) ALDH1A1NAMPTROCK2
SCHEMBL19975275 0.82 F10 (0.47) ALDH1A1CTSLCTSSCTSBHDAC6
SCHEMBL19975144 0.81 MAPK14 (0.49) ALDH1A1MMP13L3MBTL1
SCHEMBL19974808 0.80 ROCK2 (0.51) ALDH1A1NAMPTROCK2ROCK1CTSL
SCHEMBL19975135 0.80 CTSL (0.52) ALDH1A1CTSL
SCHEMBL19974941 0.80 POLB (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885NAMPT 1229/4885ROCK2 3381/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885NAMPT 1286/4885ROCK2 3311/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885NAMPT 1229/4885ROCK2 3381/4885

“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.