SCHEMBL16201685

SCHEMBL16201685

Cc1sc2c3c(n(Cc4ccc(Br)cc4)c2c1C)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
RECQL P46063 1/20 0.52
FABP4 P15090 7/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
FABP3 P05413 1/20 0.38
NR2F2 P24468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC2A1 P11166 1/20 0.38
TSHR P16473 1/20 0.36
HTR6 P50406 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
GALR3 O60755 1/20 0.35

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
SCHEMBL16201682 0.82 HDAC6 (0.56)
SCHEMBL16201679 0.80 POLB (0.45) HTTLMNARAB9AFABP4FABP3
SCHEMBL6690128 0.65 FABP4 (0.86) FABP4FABP3
SCHEMBL22761785 0.65 SMN1; SMN2 (0.55) HTTLMNASMN1; SMN2RAB9ARECQL
SCHEMBL16201680 0.65 GALR3 (0.34) HTTLMNASMN1; SMN2RAB9ARECQL
SCHEMBL16201677 0.65 TYMS (0.36) HTTLMNASMN1; SMN2RAB9ARECQL
SCHEMBL6691915 0.65 FABP4 (0.66) FABP4FABP3
SCHEMBL25514185 0.64 BRD4 (0.54) HTTLMNASMN1; SMN2RAB9ARECQL
Bromide SCHEMBL22749631 0.64 SMN1; SMN2 (0.57) HTTLMNASMN1; SMN2RAB9ARECQL
SCHEMBL16201681 0.63 TYMS (0.34) HTTLMNASMN1; SMN2RAB9ARECQL

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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 (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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 HTT 112/4885LMNA 3657/4885SMN1; SMN2 814/4885

“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.