SCHEMBL21598596

SCHEMBL21598596

OB(O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HPGD P15428 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
TTR P02766 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL29956736 1.00 POLB (0.37) POLBAPEX1HPGDSMN1; SMN2TSHR
SCHEMBL30905967 0.88 KDM1A (0.35) POLBAPEX1HPGDSMN1; SMN2TSHR
SCHEMBL3584961 0.88 ALDH1A1 (0.34) TSHRMAPT
SCHEMBL30241530 0.84 CYP3A4 (0.35) SMN1; SMN2CYP3A4NPC1RAB9A
SCHEMBL15757290 0.84 SMN1; SMN2 (0.32) POLBAPEX1HPGDSMN1; SMN2CYP3A4
SCHEMBL15757566 0.84 CYP3A4 (0.35) SMN1; SMN2CYP3A4NPC1RAB9A
SCHEMBL29950958 0.84 SMN1; SMN2 (0.32) POLBAPEX1HPGDSMN1; SMN2CYP3A4
SCHEMBL25170326 0.83 KDM1A (0.35) POLBAPEX1HPGDSMN1; SMN2TSHR
SCHEMBL31332518 0.81 TTR (0.36) HPGDSMN1; SMN2TSHRTTRCYP3A4
SCHEMBL6082901 0.79 ENPP2 (0.39) HPGDSMN1; SMN2MAPTLMNANPC1

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-20220106296-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2022-04-07 US disclosed
EP-3810598-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2021-04-28 EP disclosed
WO-2019244049-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 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 (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-20220106296-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF CBR3, HCRTR1, CYP4F11 POLB 2408/4885APEX1 1691/4885HPGD 2721/4885

“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.