SCHEMBL29276121

SCHEMBL29276121

Cc1cc(Cl)cc([N+](=O)[O-])c1I

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.41
VCAM1 P19320 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PPIA P62937 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30214885 1.00 TSHR (0.41) TSHRMAPK1ALDH1A1VCAM1HSD17B10
SCHEMBL12434986 0.80 GPR35 (0.55) TSHRALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL5462320 0.80 GPR35 (0.47) TSHRMAPK1ALDH1A1VCAM1HSD17B10
SCHEMBL18829958 0.80 CYP1A2 (0.55) TSHRMAPK1ALDH1A1VCAM1HSD17B10
SCHEMBL3612247 0.77 TDP1 (0.54) TSHRMAPK1ALDH1A1VCAM1HSD17B10
SCHEMBL25424796 0.77 PDE7A (0.43) TSHRMAPK1ALDH1A1VCAM1CYP3A4
SCHEMBL4931946 0.77 CCR6 (0.43) TSHRMAPK1ALDH1A1VCAM1CYP3A4
SCHEMBL4969056 0.77 GPR35 (0.65) MAPK1ALDH1A1HSD17B10CYP1A2RECQL
SCHEMBL25236052 0.77 TTR (0.46) TSHRMAPK1ALDH1A1VCAM1HSD17B10
SCHEMBL3293461 0.77 TDP1 (0.41) TSHRMAPK1ALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 TSHR 4642/4885MAPK1 1427/4885ALDH1A1 3173/4885

“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.