SCHEMBL3130397

SCHEMBL3130397

C=Cc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPN1 P18031 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX5 P09917 3/20 0.41
FBP1 P09467 1/20 0.41
MAPT P10636 3/20 0.40
CASR P41180 1/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 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
SCHEMBL23560922 0.84 TP53 (0.51) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL7595668 0.81 CYP19A1 (0.54) SMN1; SMN2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL29944162 0.81 CYP3A4 (0.65) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL132541 0.81 CYP3A4 (0.65) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL232779 0.81 TP53 (0.64) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL7594755 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL9133420 0.79 TP53 (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1
Hydrochloric Acid SCHEMBL3088495 0.79 TP53 (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1
SCHEMBL28837773 0.79 CYP3A4 (0.63) TP53TDP1SMN1; SMN2CYP3A4MEN1
Hydrochloric Acid SCHEMBL2299193 0.79 TP53 (0.62) TP53TDP1SMN1; SMN2CYP3A4MEN1

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
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
US-8273766-B2 Tetrahydroisoquinoline compound KOWA COMPANY, LTD. (JP) 2012-09-25 US disclosed
US-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND KOWA COMPANY, LTD. (JP) 2010-05-13 US disclosed
EP-2143714-A1 TETRAHYDROISOQUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2010-01-13 EP disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 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-20100120844-A1 TETRAHYDROISOQUINOLINE COMPOUND CCR3, CCR5, CCR1 TP53 3886/4885TDP1 4097/4885SMN1; SMN2 3148/4885

“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.