SCHEMBL658786

SCHEMBL658786

Cc1nc2cc(OCCN3CCOCC3)ccn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.45
KDM1A O60341 1/20 0.45
HDAC2 Q92769 9/20 0.40
HDAC6 Q9UBN7 9/20 0.40
HDAC3 O15379 7/20 0.40
HDAC8 Q9BY41 7/20 0.40
HDAC10 Q969S8 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
SIK2 Q9H0K1 2/20 0.39
SIK3 Q9Y2K2 2/20 0.39
CSF1R P07333 2/20 0.39
MAOA P21397 1/20 0.37
CHUK O15111 1/20 0.37
INSR P06213 1/20 0.37
MAPK8 P45983 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL659880 0.89 HDAC1 (0.54) HDAC1CSF1R
SCHEMBL658275 0.88 AKT1 (0.36) HDAC1CSF1R
SCHEMBL3352574 0.87 POLB (0.43) HDAC1KDM1AHDAC2HDAC6HDAC3
SCHEMBL3350389 0.87 HDAC1 (0.42) HDAC1KDM1AHDAC2HDAC6HDAC3
SCHEMBL655254 0.86 IGF1R (0.42) HDAC1HDAC2HDAC6HDAC3INSR
SCHEMBL196494 0.85 HDAC1 (0.41) HDAC1KDM1AHDAC2HDAC6HDAC3
SCHEMBL658869 0.85 HDAC1 (0.36) HDAC1KDM1AHDAC2HDAC6HDAC3
SCHEMBL703004 0.85 HDAC1 (0.51) HDAC1KDM1AHDAC2HDAC6HDAC3
SCHEMBL3357560 0.85 HDAC1 (0.41) HDAC1KDM1AHDAC2HDAC6HDAC3
SCHEMBL658780 0.82 HPGDS (0.40) HDAC1HDAC2HDAC6HDAC3HDAC8

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 3 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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 (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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885KDM1A 122/4885HDAC2 3/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885KDM1A 122/4885HDAC2 3/4885

“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.