SCHEMBL17199376

SCHEMBL17199376

O=C(Nc1nn(Cc2ccc(CF)cc2)c2cccc(Cl)c12)c1ccoc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 1/20 0.44
FSCN1 Q16658 1/20 0.43
CCR4 P51679 1/20 0.38
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
PTK2 Q05397 1/20 0.35
RORC P51449 1/20 0.35
HDAC1 Q13547 2/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
NPC1 O15118 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGER4 P35408 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL30694990 0.90 FSCN1 (0.56) ADORA3ADORA2AFSCN1HDAC1PTGER4
SCHEMBL17038930 0.90 FSCN1 (0.56) ADORA3ADORA2AFSCN1HDAC1PTGER4
SCHEMBL17199379 0.81 POLB (0.49) FSCN1CCR4NPC1MEN1KMT2A
SCHEMBL17199356 0.80 FSCN1 (0.39) FSCN1CCR4NPC1KMT2ASMN1; SMN2
SCHEMBL17038766 0.79 FSCN1 (0.56) ADORA3ADORA2AFSCN1KCNK3KCNK9
SCHEMBL30501116 0.79 FSCN1 (0.56) ADORA3ADORA2AFSCN1KCNK3KCNK9
SCHEMBL17038797 0.78 FSCN1 (0.57) ADORA3ADORA2AFSCN1HDAC1CPT1A
SCHEMBL30695059 0.78 FSCN1 (0.57) ADORA3ADORA2AFSCN1HDAC1CPT1A
SCHEMBL17038749 0.77 FSCN1 (0.51) ADORA3ADORA2AFSCN1HDAC1PTGER4
SCHEMBL30695064 0.77 FSCN1 (0.51) ADORA3ADORA2AFSCN1HDAC1PTGER4

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-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2017-06-08 US disclosed
US-9573946-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-20150299191-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2015-10-22 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-20150299191-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ADORA3 4451/4885ADORA2A 3367/4885FSCN1 1/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ADORA3 4451/4885ADORA2A 3367/4885FSCN1 1/4885

“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.