SCHEMBL7588929

SCHEMBL7588929

N#Cc1cc(-c2cncc(Br)c2)n2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
L3MBTL4 Q8NA19 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
AR P10275 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL2157932 0.80 ALDH1A1 (0.40) CYP11B1CYP11B2HTTALDH1A1CYP1A2
SCHEMBL7953580 0.79 CYP11B1 (0.37) CYP11B1CYP11B2HPGDHTTLMNA
SCHEMBL7954901 0.75 CYP11B2 (0.40) CYP11B1CYP11B2HTTSMN1; SMN2ALDH1A1
SCHEMBL7588829 0.74 RXFP1 (0.36) CYP11B1CYP11B2HPGDHTTSMN1; SMN2
SCHEMBL2157447 0.70 CYP11B2 (0.43) CYP11B1CYP11B2ALDH1A1L3MBTL1
SCHEMBL12988242 0.68 MAOA (0.46) CYP11B1CYP11B2HPGDHTTSMN1; SMN2
SCHEMBL2853324 0.66 HPGD (0.66) HPGDHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL7590022 0.65 CYP11B2 (0.38) CYP11B1CYP11B2HPGDALDH1A1
SCHEMBL7592203 0.65 CNR2 (0.37) CYP11B1CYP11B2HTTALDH1A1
SCHEMBL7953649 0.65 CYP11B2 (0.44) CYP11B1CYP11B2ALDH1A1

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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US disclosed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 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 (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 CYP11B1 130/4885CYP11B2 139/4885HPGD 107/4885

“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.