SCHEMBL17199372

SCHEMBL17199372

Nc1nn(Cc2ccc(CF)cc2)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.38
FSCN1 Q16658 1/20 0.38
GRM2 Q14416 2/20 0.37
PDE8B O95263 1/20 0.37
CDC7 O00311 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
AKR1B1 P15121 1/20 0.35
KCNA3 P22001 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL17038931 0.93 PTGER4 (0.42) PTGER4FSCN1GRM2PDE8BCDC7
SCHEMBL18937499 0.90 MAT2A (0.40) PTGER4FSCN1GRM2PDE8BCDC7
SCHEMBL14380101 0.88 CNR1 (0.47) PTGER4FSCN1GRM2CNR1ACHE
SCHEMBL30695091 0.82 MAT2A (0.42) PTGER4FSCN1GRM2PDE8BCDC7
SCHEMBL17038805 0.82 MAT2A (0.42) PTGER4FSCN1GRM2PDE8BCDC7
SCHEMBL30495279 0.80 PTGER4 (0.53) PTGER4FSCN1GRM2PDE8BCNR1
SCHEMBL17028014 0.80 PTGER4 (0.53) PTGER4FSCN1GRM2PDE8BCNR1
SCHEMBL5583119 0.79 CCR2 (0.39) PKMADORA2A
SCHEMBL18937376 0.77 CNR1 (0.46) PTGER4CNR1ACHECNR2
SCHEMBL3548329 0.77 HDAC1 (0.63)

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-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 (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-20150299191-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF PTGER4 4107/4885FSCN1 1/4885GRM2 2168/4885

“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.