SCHEMBL17335877

SCHEMBL17335877

CCc1ccc(CNC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.72
POLB P06746 1/20 0.62
HDAC1 Q13547 1/20 0.57
CXCR4 P61073 2/20 0.54
CXCL12 P48061 1/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL30707816 0.90 MEN1 (0.58) HRH3POLBHDAC1RAB9AMEN1
SCHEMBL10953965 0.90 HRH3 (0.88) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL5864236 0.85 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL3440238 0.82 HRH3 (0.69) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL11434269 0.82 HRH3 (0.69) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL13093982 0.82 HRH3 (0.64) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL25541755 0.81 MEN1 (0.50) HRH3POLBHDAC1RAB9AMEN1
SCHEMBL5863714 0.81 POLB (0.93) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL1042778 0.81 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12
SCHEMBL21799935 0.81 HRH3 (0.72) HRH3POLBHDAC1CXCR4CXCL12

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-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE SYNGENE INTERNATIONAL LIMITED (IN) 2017-04-27 US disclosed
WO-2015189595-A1 TREATMENT OF CHAGAS DISEASE UNIVERSITY OF DUNDEE (GB) 2015-12-17 WO 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 (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-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HRH3 2194/4885POLB 595/4885HDAC1 818/4885
US-20170114029-A1 TREATMENT OF CHAGAS DISEASE CXCR4, CBR1, CHRM1 HRH3 34/4885POLB 3304/4885HDAC1 621/4885

“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.