SCHEMBL3590906

SCHEMBL3590906

O=C(c1ccc(Cl)cc1)c1cc[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NR4A1 P22736 1/20 0.43
ELANE P08246 1/20 0.42
FABP2 P12104 1/20 0.41
PPARG P37231 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
SCHEMBL9528563 0.85 ALDH1A1 (0.43) SRD5A2HTTKMT2AHPGDALDH1A1
SCHEMBL10699004 0.82 LMNA (0.62) SRD5A2MAPK1HTTKMT2ASMN1; SMN2
SCHEMBL24186223 0.80 LTA4H (0.52) MAPK1HTTSMN1; SMN2HPGDCES2
SCHEMBL2720045 0.80 ALDH1A1 (0.64) SRD5A2HTTKMT2ASMN1; SMN2HPGD
SCHEMBL51827 0.80 SRD5A2 (0.80) SRD5A2MAPK1HTTHPGDCES2
SCHEMBL1681512 0.80 SRD5A2 (0.80) SRD5A2MAPK1HTTHPGDCES2
SCHEMBL10697158 0.80 SRD5A2 (0.80) SRD5A2MAPK1HTTHPGDCES2
SCHEMBL9065412 0.80 SRD5A2 (0.80) SRD5A2MAPK1HTTHPGDCES2
SCHEMBL4516770 0.79 ALDH1A1 (0.61) SRD5A2KMT2AHPGDCES2CES1
SCHEMBL29985694 0.78 SRD5A2 (0.76) SRD5A2MAPK1HTTHPGDCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
US-4002643-A REARRANGING WITH A STRONG, ANHYDROUS, NON-OXIDIZING ACID MCNEIL LABORATORIES, INC. (US) 1977-01-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 SRD5A2 179/4885MAPK1 703/4885HTT 4630/4885

“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.