SCHEMBL3352574

SCHEMBL3352574

Cc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGDS O60760 3/20 0.42
HTT P42858 1/20 0.42
CD274 Q9NZQ7 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CA P42336 2/20 0.41
HDAC1 Q13547 2/20 0.40
KDM1A O60341 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL658592 0.90 HPGDS (0.43) POLBHPGDSCD274HDAC1KDM1A
SCHEMBL658780 0.90 HPGDS (0.40) POLBHPGDSHTTCD274HDAC1
SCHEMBL658254 0.89 HDAC1 (0.48) HPGDSCYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL658786 0.87 HDAC1 (0.45) HDAC1KDM1AALDH1A1MAOAHDAC3
SCHEMBL657853 0.87 AKT1 (0.38) HTTHDAC1KDM1AHDAC2HDAC8
SCHEMBL3354824 0.86 POLB (0.44) POLBHPGDSHTTCD274CYP1A2
SCHEMBL701690 0.85 AURKA (0.52) POLBHPGDSHDAC1HDAC3HDAC2
SCHEMBL196470 0.84 POLB (0.43) POLBHPGDSHTTCD274CYP1A2
SCHEMBL3352933 0.84 POLB (0.43) POLBHPGDSHTTCD274CYP1A2
SCHEMBL657967 0.83 AKT1 (0.42) HDAC1HDAC6

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 POLB 718/4885HPGDS 636/4885HTT 478/4885

“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.