SCHEMBL21665304

SCHEMBL21665304

C/C(N)=C/c1c[nH]c2ccc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.59
▸ CAPN2 P17655 1/20 0.59
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MPO P05164 7/20 0.47
▸ GPR84 Q9NQS5 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ NOTUM Q6P988 2/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL21546056 0.79 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL29404592 0.79 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL21546057 0.79 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL19243047 0.79 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL3741787 0.78 KMT2A (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL28701110 0.78 CAPN1 (0.59) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL25001258 0.77 APP (0.58) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL13957453 0.76 CAPN1 (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL27640766 0.76 MPO (0.56) CAPN1CAPN2KMT2AMEN1NPC1
SCHEMBL28933481 0.75 CAPN1 (0.52) CAPN1CAPN2KMT2AMEN1NPC1

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-10647724-B2 Selective estrogen receptor degraders and uses thereof INVENTISBIO INC. (KY) 2020-05-12 — — US disclosed
US-20200040001-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF INVENTISBIO LLC 2020-02-06 — — US 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-10647724-B2 Selective estrogen receptor degraders and uses thereof ESR1, ESRRA, ESR2 CAPN1 948/4885CAPN2 790/4885KMT2A 1662/4885
US-20200040001-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF ESR1, ESRRA, ESR2 CAPN1 948/4885CAPN2 790/4885KMT2A 1662/4885

“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.

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