SCHEMBL25801547

SCHEMBL25801547

ClCc1nc(Cc2ccc(-c3ccc(Cl)cc3)cc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 2/20 0.54
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
TSHR P16473 4/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMPD1 P17405 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL9670480 0.95 MAPT (0.58) NPC1HTTRAB9AMAPTERCC1
SCHEMBL6980080 0.81 MAPT (0.57) NPC1HTTRAB9AMAPTERCC1
SCHEMBL481007 0.81 MAPK1 (0.48) NPC1HTTRAB9AMAPTTSHR
SCHEMBL4883555 0.81 TSHR (0.48) MAPTTSHRKDM4EALDH1A1MAPK1
SCHEMBL18704082 0.81 TRPA1 (0.50) MAPTL3MBTL1KMT2A
SCHEMBL11638729 0.80 MAPK1 (0.61) NPC1HTTRAB9AMAPTTSHR
SCHEMBL23578538 0.79 MAPK1 (0.46) NPC1HTTRAB9AMAPTERCC1
SCHEMBL23588090 0.78 TSHR (0.72) HTTMAPTERCC1ERCC4TSHR
SCHEMBL23588105 0.77 NPC1 (0.49) NPC1HTTRAB9AMAPTERCC1
SCHEMBL23578233 0.77 TSHR (0.45) NPC1MAPTTSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
EP-4081511-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2022-11-02 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 NPC1 4019/4885HTT 4546/4885RAB9A 1795/4885

“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.