SCHEMBL1963055

SCHEMBL1963055

CCCCCCCCN1C=Cc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
SETD7 Q8WTS6 1/20 0.45
SIGMAR1 Q99720 4/20 0.39
NAMPT P43490 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
GALR3 O60755 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1959030 1.00 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1961830 1.00 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1963183 1.00 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9512254 1.00 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL11429908 0.98 HDAC3 (0.60) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL1961823 0.98 HDAC3 (0.60) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL11441828 0.98 HDAC3 (0.60) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL8943709 0.98 HDAC3 (0.60) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL11872589 0.98 HDAC3 (0.60) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9161505 0.98 HDAC3 (0.59) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19

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-20110144079-A1 ANTIMICROBIAL SYSTEM THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2011-06-16 US claimed
US-20110144079-A1 ANTIMICROBIAL SYSTEM THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2011-06-16 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-20110144079-A1 ANTIMICROBIAL SYSTEM PIK3C3, POLR1C, LTN1 HDAC3 4564/4885ALDH1A1 3865/4885CYP1A2 3529/4885

“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.