SCHEMBL24019765

SCHEMBL24019765

CCNC(=O)c1cc2c(OC)nccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 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
SCHEMBL24112871 0.85 NUDT1 (0.47) NUDT1ALOX15POLBNPC1RAB9A
SCHEMBL24740112 0.83 MEN1 (0.48) ALOX15POLBNPC1RAB9AROCK2
SCHEMBL23102527 0.82 CYP1A2 (0.44) GABRA1KDM4EALDH1A1MAPTKMT2A
SCHEMBL30310440 0.82 CYP1A2 (0.44) GABRA1KDM4EALDH1A1MAPTKMT2A
SCHEMBL30310570 0.81 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL24020812 0.81 KDM4E (0.48) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL31092842 0.81 ALDH1A1 (0.52) ALOX15NPC1RAB9AGABRA1KDM4E
SCHEMBL30310378 0.80 CCNC (0.41) NUDT1KDM4E
Hydrochloric Acid SCHEMBL29761726 0.80 KDM4E (0.47) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL24019831 0.78 ALOX15 (0.47) NUDT1ALOX15POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — US disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — 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 (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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL NUDT1 3152/4885ALOX15 1749/4885POLB 2487/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV NUDT1 4023/4885ALOX15 1455/4885POLB 2188/4885

“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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