SCHEMBL7589095

SCHEMBL7589095

CCOC(=O)C1CCCCN1C(=O)c1cccnc1Br

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
FKBP1A P62942 5/20 0.46
POLB P06746 1/20 0.46
OPRK1 P41145 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HCRTR2 O43614 1/20 0.44
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1D1 P20393 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
SCHEMBL7954849 0.90 POLB (0.51) ALDH1A1CYP2C19MEN1KMT2ATSHR
SCHEMBL7946411 0.88 CYP2C19 (0.48) ALDH1A1CYP2C19MEN1KMT2ATSHR
SCHEMBL7954837 0.88 CYP2C19 (0.65) ALDH1A1CYP2C19MEN1KMT2ATSHR
SCHEMBL13468059 0.83 TP53 (0.55) ALDH1A1MEN1KMT2ATSHRFKBP1A
SCHEMBL7852753 0.82 TDP1 (0.49) ALDH1A1TSHRHCRTR2SMN1; SMN2
SCHEMBL13469108 0.81 KDM4E (0.54) ALDH1A1MEN1KMT2ATSHRFKBP1A
SCHEMBL20366865 0.80 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATSHRFKBP1A
SCHEMBL15614467 0.80 MEN1 (0.52) ALDH1A1MEN1KMT2ATSHRFKBP1A
SCHEMBL2157261 0.79 GAA (0.64) ALDH1A1MEN1KMT2AFKBP1AKDM4E
SCHEMBL2157294 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRFKBP1A

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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 ALDH1A1 1762/4885CYP2C19 405/4885MEN1 4597/4885

“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.