SCHEMBL6497182

SCHEMBL6497182

O=C(Cl)c1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GPR35 Q9HC97 1/20 0.53
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
CYP19A1 P11511 1/20 0.43
HTT P42858 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 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
SCHEMBL5787593 0.83 ALDH1A1 (0.59) ALDH1A1GPR35HSD17B10KMT2ACYP3A4
SCHEMBL28030677 0.82 KMT2A (0.61) ALDH1A1GPR35HSD17B10KMT2ATSHR
SCHEMBL11171104 0.79 ALDH1A1 (0.48) ALDH1A1GPR35HSD17B10KMT2ATSHR
SCHEMBL3327506 0.79 KMT2A (0.59) ALDH1A1GPR35HSD17B10KMT2ATSHR
SCHEMBL27262068 0.79 ALDH1A1 (0.64) ALDH1A1GPR35HSD17B10KMT2ATSHR
SCHEMBL30717143 0.78 ALDH1A1 (0.47) ALDH1A1GPR35HSD17B10KMT2ATSHR
SCHEMBL8099774 0.78 ALDH1A1 (0.52) ALDH1A1GPR35KMT2ATSHRCYP3A4
SCHEMBL9737315 0.77 CA1 (0.67) ALDH1A1GPR35HSD17B10KMT2ATSHR
SCHEMBL5787676 0.77 NR1H4 (0.52) ALDH1A1GPR35HSD17B10KMT2ASMN1; SMN2
SCHEMBL27763193 0.77 ALDH1A1 (0.52) ALDH1A1GPR35HSD17B10KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 WO disclosed
US-4602041-A TREATMENT OF DIARRHEA BEECHAM GROUP P.L.C. (GB) 1986-07-22 US disclosed
EP-0087218-B1 GUANIDINE DERIVATIVES BEECHAM GROUP PLC (GB) 1985-05-02 EP disclosed
EP-0087218-A1 Guanidine derivatives BEECHAM GROUP PLC (GB) 1983-08-31 EP 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ALDH1A1 312/4885GPR35 2623/4885HSD17B10 2380/4885

“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.