SCHEMBL19974995

SCHEMBL19974995

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CTSL P07711 5/20 0.48
CTSS P25774 4/20 0.48
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 1/20 0.46
NAMPT P43490 2/20 0.44
CTSB P07858 3/20 0.43
CTSK P43235 1/20 0.43
POLB P06746 1/20 0.42
MMP13 P45452 1/20 0.41
MLYCD O95822 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19975408 0.87 ALDH1A1 (0.45) ALDH1A1CTSLCTSSROCK2ROCK1
SCHEMBL19975439 0.86 ALDH1A1 (0.53) ALDH1A1CTSLCTSSROCK2ROCK1
SCHEMBL21176297 0.84 SMYD3 (0.43) ALDH1A1ROCK2NAMPT
SCHEMBL19975371 0.82 CTSL (0.46) ALDH1A1CTSLCTSSCTSBCTSK
SCHEMBL19975577 0.79 CTSL (0.48) ALDH1A1CTSLCTSSROCK2ROCK1
SCHEMBL19974808 0.76 ROCK2 (0.51) ALDH1A1CTSLCTSSROCK2ROCK1
SCHEMBL21183506 0.76 EPHX1 (0.46) ALDH1A1L3MBTL1
SCHEMBL21176167 0.74 ALDH1A1 (0.55) ALDH1A1CTSLCTSSCTSBCTSK
SCHEMBL15706706 0.74 ALDH1A1 (0.63) ALDH1A1ROCK2NAMPTPOLB
SCHEMBL19974994 0.74 SMN1; SMN2 (0.39) ALDH1A1ROCK2ROCK1NAMPTPOLB

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 7 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
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 2271/4885CTSL 899/4885CTSS 675/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885CTSL 958/4885CTSS 821/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885CTSL 899/4885CTSS 675/4885

“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.