SCHEMBL18816574

SCHEMBL18816574

CC1(c2ccccc2)C2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.49
▸ CACNA1B Q00975 2/20 0.47
▸ APBA1 Q02410 2/20 0.47
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ ITGB2 P05107 1/20 0.43
▸ ICAM1 P05362 1/20 0.43
▸ ITGAL P20701 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL17347122 0.84 MAPT (0.58) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL17338813 0.84 MAPT (0.58) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL17347077 0.82 ITGB2 (0.44) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL22898545 0.82 ITGB2 (0.44) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL22898531 0.82 ITGB2 (0.44) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL17347078 0.82 ITGB2 (0.44) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL17347214 0.82 ITGB2 (0.44) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL18787397 0.82 ITGB2 (0.44) ADRA2ACACNA1BAPBA1MAPTALDH1A1
SCHEMBL22898642 0.81 ITGAL (0.43) ADRA2AITGB2ICAM1ITGALTSHR
SCHEMBL18816188 0.76 ALDH1A1 (0.52) ADRA2ACACNA1BAPBA1MAPTALDH1A1

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-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2017-05-04 — — 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-20170121284-A1 SMALL MOLECULE LFA-1 INHIBITORS ICAM1, VCAM1, ITGB1 ADRA2A 1433/4885CACNA1B 414/4885APBA1 927/4885

“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.

Send feedback