SCHEMBL3601203

SCHEMBL3601203

O=C1CCc2c([N+](=O)[O-])ccc(O)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 2/20 0.56
TSHR P16473 2/20 0.56
HIF1A Q16665 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 7/20 0.49
CASP6 P55212 2/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
CSNK2A2 P19784 2/20 0.45
CSNK2B P67870 2/20 0.45
CSNK2A1 P68400 2/20 0.45
CSNK2A3 Q8NEV1 2/20 0.45
GPR35 Q9HC97 5/20 0.44
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CTSB P07858 2/20 0.43
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL16555392 0.86 SMN1; SMN2 (0.56) SMN1; SMN2HPGDTP53TSHRHIF1A
SCHEMBL20634962 0.79 ALDH1A1 (0.44) SMN1; SMN2HPGDTP53TSHRHIF1A
SCHEMBL30042374 0.79 ALDH1A1 (0.44) SMN1; SMN2HPGDTP53TSHRHIF1A
SCHEMBL29690461 0.77 TXNRD1 (0.42) SMN1; SMN2HPGDTP53TSHRCYP3A4
SCHEMBL18353017 0.77 TXNRD1 (0.42) SMN1; SMN2HPGDTP53TSHRCYP3A4
SCHEMBL31177224 0.77 TP53 (0.53) SMN1; SMN2HPGDTP53TSHRHIF1A
SCHEMBL9404841 0.77 TP53 (0.53) SMN1; SMN2HPGDTP53TSHRHIF1A
SCHEMBL3607301 0.76 ALDH1A1 (0.65) HPGDCYP3A4MAPTALDH1A1ALOX15
SCHEMBL16445887 0.72 GPR35 (0.46) SMN1; SMN2HPGDTP53TSHRHIF1A
SCHEMBL28960887 0.72 HIF1A (0.43) SMN1; SMN2HPGDTP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-4322414-A MITICIDES; APHIDICIDES; LARVICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-03-30 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 SMN1; SMN2 4057/4885HPGD 1006/4885TP53 1985/4885

“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.