SCHEMBL600868

SCHEMBL600868

O=[N+]([O-])c1ccc(C(F)F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 6/20 0.48
VCAM1 P19320 1/20 0.46
PDE7A Q13946 7/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7B Q9NP56 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL5779364 0.85 HSD17B10 (0.60) HSD17B10KMT2AALDH1A1VCAM1PDE7A
SCHEMBL12572953 0.81 HSD17B10 (0.60) HSD17B10KMT2AALDH1A1VCAM1PDE7A
SCHEMBL15076678 0.79 ALDH1A1 (0.53) HSD17B10KMT2AALDH1A1TDP1LMNA
SCHEMBL24346154 0.79 HSD17B10 (0.56) HSD17B10KMT2AALDH1A1VCAM1TDP1
SCHEMBL29745663 0.79 HSD17B10 (0.56) HSD17B10KMT2AALDH1A1VCAM1TDP1
SCHEMBL27778095 0.79 HSD17B10 (0.56) HSD17B10KMT2AALDH1A1VCAM1PDE7A
SCHEMBL10860953 0.78 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1VCAM1TDP1
SCHEMBL26922979 0.78 ALDH1A1 (0.43) HSD17B10ALDH1A1PDE7ATDP1LMNA
SCHEMBL2534616 0.77 HSD17B10 (0.55) HSD17B10KMT2AALDH1A1PDE7ATDP1
SCHEMBL10782608 0.77 HSD17B10 (0.55) HSD17B10KMT2AALDH1A1VCAM1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-1996188-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED 2012-12-06 US disclosed
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
US-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE COOPER DAVID GWYN 2010-07-29 US disclosed
EP-1996188-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-03 EP disclosed
WO-2007107566-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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 (3 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-20100190825-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 HSD17B10 3318/4885KMT2A 2317/4885ALDH1A1 291/4885
US-20120041027-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 HSD17B10 3184/4885KMT2A 3248/4885ALDH1A1 266/4885
US-20120309789-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 HSD17B10 2583/4885KMT2A 4088/4885ALDH1A1 1186/4885

“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.