SCHEMBL20738702

SCHEMBL20738702

Cc1cccc([C@H](I)[C@H](C)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
FDPS P14324 1/20 0.34
FDFT1 P37268 1/20 0.34
MAP4K4 O95819 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
P2RX7 Q99572 1/20 0.33
METAP2 P50579 1/20 0.32
GRM5 P41594 4/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 3/20 0.31
HPGD P15428 3/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL29337168 0.81 NOS3 (0.42) HTTRECQLCCR1CCR8NOS3
SCHEMBL24925771 0.80 HTT (0.43) HTTRECQLCCR1CCR8NOS3
SCHEMBL25787783 0.79 CCR1 (0.46) HTTRECQLCCR1CCR8NOS3
SCHEMBL20738713 0.79 CCR1 (0.46) HTTRECQLCCR1CCR8NOS3
SCHEMBL24375835 0.79 CCR1 (0.46) HTTRECQLCCR1CCR8NOS3
SCHEMBL507079 0.79 CCR1 (0.46) HTTRECQLCCR1CCR8NOS3
SCHEMBL507316 0.79 CCR1 (0.46) HTTRECQLCCR1CCR8NOS3
SCHEMBL14577729 0.77 CCR1 (0.48) HTTRECQLCCR1CCR8NOS3
SCHEMBL20738701 0.77 CYP3A4 (0.40) CYP3A4CYP2D6
SCHEMBL102150 0.74 CCR1 (0.50) HTTRECQLCCR1CCR8NOS3

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-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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 (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-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 HTT 1689/4885RECQL 3976/4885CCR1 838/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 HTT 1689/4885RECQL 3976/4885CCR1 838/4885

“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.