SCHEMBL20149261

SCHEMBL20149261

C=CC(C)Cc1cnc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.59
HRH4 Q9H3N8 10/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
CYP1A2 P05177 1/20 0.59
NFKB1 P19838 1/20 0.59
THPO P40225 1/20 0.59
LMNA P02545 2/20 0.58
APEX1 P27695 2/20 0.58
BLM P54132 1/20 0.58
CYP3A4 P08684 1/20 0.45
SLC7A5 Q01650 1/20 0.45
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL12228688 0.81 HRH3 (0.59) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL6600780 0.79
SCHEMBL2736110 0.78
SCHEMBL23192818 0.75
SCHEMBL12328968 0.75
SCHEMBL24199001 0.75
SCHEMBL3925179 0.75
Hydrochloric Acid SCHEMBL20295961 0.73 HRH3 (1.00) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL23485680 0.73 HRH3 (0.63) HRH3HRH4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1369323 0.73 HRH3 (1.00) HRH3HRH4ALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 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-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 HRH3 1104/4885HRH4 1185/4885ALDH1A1 1192/4885

“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.