SCHEMBL197432

SCHEMBL197432

Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.41
POLB P06746 1/20 0.41
CD274 Q9NZQ7 6/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
TGFBR1 P36897 1/20 0.39
TSHR P16473 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
SCHEMBL3351468 0.98 HPGDS (0.42) HPGDSPOLBCD274ALDH1A1HTR1A
SCHEMBL3353984 0.96 HPGDS (0.41) HPGDSPOLBCD274ALDH1A1HTR1A
SCHEMBL196470 0.90 POLB (0.43) HPGDSPOLBCD274ALDH1A1HTR1A
SCHEMBL197808 0.90 AKT1 (0.45) ALDH1A1KCNH2HDAC8HDAC6HPGD
SCHEMBL197903 0.89 HDAC1 (0.42) HPGDSCD274ALDH1A1HDAC2HDAC8
SCHEMBL3354824 0.88 POLB (0.44) HPGDSPOLBCD274ALDH1A1HTR1A
SCHEMBL3357396 0.87 HDAC1 (0.42) HPGDSCD274ALDH1A1HDAC2HDAC8
SCHEMBL3352933 0.86 POLB (0.43) HPGDSPOLBCD274ALDH1A1HTR1A
SCHEMBL3355078 0.86 HDAC1 (0.42) HPGDSCD274ALDH1A1HDAC2HDAC8
SCHEMBL197802 0.85 HDAC1 (0.39) KCNH2HDAC2HDAC8HDAC6

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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 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 HPGDS 636/4885POLB 718/4885CD274 4262/4885

“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.