SCHEMBL17242255

SCHEMBL17242255

NC(=O)Oc1ccc(O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 5/20 0.42
KIF11 P52732 1/20 0.40
ESR2 Q92731 3/20 0.38
ESR1 P03372 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL28890049 0.85 MEN1 (0.53) MEN1KMT2ACA2CA1TSHR
SCHEMBL23753577 0.84 MEN1 (0.57) MEN1KMT2ACA2CA1TSHR
SCHEMBL5697552 0.82 MEN1 (0.59) MEN1KMT2ACA2CA1HSD17B10
SCHEMBL377507 0.81 CYP3A4 (0.52) MEN1KMT2ACA2TSHRHSD17B10
SCHEMBL9649697 0.80 CA2 (0.42) KMT2ACA2CA1TSHRHSD17B10
SCHEMBL7170047 0.79 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL31266502 0.79 MEN1 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL19810305 0.79 MEN1 (0.52) MEN1KMT2ATSHRHSD17B10KIF11
SCHEMBL27486346 0.78 NR1H4 (0.41) CA2CA1TSHRHSD17B10NR1H4
SCHEMBL4311410 0.77 MEN1 (0.53) MEN1KMT2AHSD17B10NR1H4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279760-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-11-01 CN disclosed
US-10259800-B2 Method of fluorination using iodonium ylides THE GENERAL HOSPITAL CORPORATION (US) 2019-04-16 US disclosed
US-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES THE GENERAL HOSPITAL CORPORATION 2017-05-04 US disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 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-20170121300-A1 METHOD OF FLUORINATION USING IODONIUM YLIDES FLI1, ABL1, PFAS MEN1 111/4885KMT2A 1258/4885CA2 4427/4885
US-10259800-B2 Method of fluorination using iodonium ylides FLI1, ABL1, PFAS MEN1 111/4885KMT2A 1258/4885CA2 4427/4885

“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.