SCHEMBL5427296

SCHEMBL5427296

O=Cc1ccc(Cl)cc1I

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ERN1 O75460 8/20 0.54
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.42
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 2/20 0.36
XDH P47989 1/20 0.36
HPGD P15428 1/20 0.36
TYR P14679 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL275397 0.84 ERN1 (0.57) TDP1ERN1HSD17B10MEN1LMNA
SCHEMBL4357334 0.80 TDP1 (0.70) TDP1ERN1HSD17B10MEN1LMNA
SCHEMBL29889164 0.78 TDP1 (1.00) TDP1ERN1HSD17B10ALDH1A1
SCHEMBL95435 0.78 TDP1 (1.00) TDP1ERN1HSD17B10ALDH1A1
SCHEMBL95555 0.78 ERN1 (0.56) TDP1ERN1MEN1LMNATHRB
Water SCHEMBL28578537 0.78 TDP1 (0.67) TDP1ERN1HSD17B10MEN1LMNA
Ammonia Solution, Strong SCHEMBL8037724 0.76 TDP1 (0.95) TDP1ERN1HSD17B10ALDH1A1
SCHEMBL27651048 0.76 TDP1 (0.57) TDP1ERN1HSD17B10MEN1LMNA
SCHEMBL24014740 0.74 ERN1 (0.42) TDP1ERN1MEN1LMNATHRB
SCHEMBL155661 0.74 TDP1 (0.61) TDP1ERN1HSD17B10LMNAKMT2A

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
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
US-9926275-B2 Allosteric modulators of the cannabinoid 1 receptor NORTHEASTERN UNIVERSITY (US) 2018-03-27 US disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed
CN-101896486-A Spiroindolinone derivatives HOFFMANN LA ROCHE 2010-11-24 CN disclosed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 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 (2 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 TDP1 4856/4885ERN1 3380/4885HSD17B10 1483/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 TDP1 1661/4885ERN1 3123/4885HSD17B10 1426/4885

“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.