SCHEMBL196470

SCHEMBL196470

Cc1nc2cc(C(=O)NCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGDS O60760 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CD274 Q9NZQ7 4/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 2/20 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
KMT2A Q03164 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
SCHEMBL3354824 0.98 POLB (0.44) POLBHPGDSCYP1A2CYP2D6CYP2C19
SCHEMBL3352933 0.96 POLB (0.43) POLBHPGDSCYP1A2CYP2D6CYP2C19
SCHEMBL199093 0.90 NPC1 (0.40) HDAC8HDAC6HDAC4HDAC1HDAC7
SCHEMBL197432 0.90 HPGDS (0.41) POLBHPGDSCD274HDAC8HDAC6
SCHEMBL196678 0.90 MAPK14 (0.42) POLBHPGDSCYP1A2CYP2D6CYP2C19
SCHEMBL3351468 0.88 HPGDS (0.42) POLBHPGDSCD274HDAC8HDAC6
SCHEMBL3356510 0.88 MAPK14 (0.42) POLBHPGDSCYP1A2CYP2D6CYP2C19
SCHEMBL196494 0.87 HDAC1 (0.41) HDAC8HDAC6HDAC1ALDH1A1HDAC2
SCHEMBL196935 0.87 KCNH2 (0.40) HDAC8HDAC6HDAC4HDAC1HDAC7
SCHEMBL3353984 0.86 HPGDS (0.41) POLBHPGDSCD274HDAC8HDAC6

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 POLB 718/4885HPGDS 636/4885CYP1A2 2907/4885

“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.