Sugi Predict

Sugi Predict / Compounds / SCHEMBL17039013

SCHEMBL17039013

SCHEMBL17039013

O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ EPHB3 P54753 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL17039009 0.89 MAPT (0.55) RXFP1HTR6KDM4EALDH1A1TRPV1
SCHEMBL17038866 0.88 SMN1; SMN2 (0.54) RXFP1HTR6KDM4EALDH1A1MAPT
SCHEMBL17039024 0.88 HDAC1 (0.51) RXFP1HTR6KDM4EALDH1A1MAPT
SCHEMBL17039011 0.87 POLB (0.55) HTR6ALDH1A1MAPTHDAC1HDAC2
SCHEMBL17038967 0.87 MAPT (0.49) HTR6KDM4EALDH1A1TRPV1MAPT
SCHEMBL17039014 0.86 POLB (0.52) RXFP1HTR6MAPTHDAC1HDAC2
SCHEMBL17038855 0.86 RXFP1 (0.49) RXFP1HTR6KDM4EALDH1A1MAPT
SCHEMBL17038859 0.86 HTR6 (0.44) RXFP1HTR6KDM4EALDH1A1MAPT
SCHEMBL17199331 0.86 ALDH1A1 (0.45) HTR6KDM4EALDH1A1MAPTHDAC1
SCHEMBL17195543 0.86 RAB9A (0.52) HTR6KDM4EALDH1A1EPHB3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858929-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2024-01-02 — — US disclosed
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR NOVITA PHARMACEUTICALS, INC. (US) 2023-10-05 — — US disclosed
US-11701342-B2 Co-therapies including a metastasis inhibitor CORNELL UNIVERSITY (US) 2023-07-18 — — US disclosed
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN NOVITA PHARMACEUTICALS, INC. 2021-11-04 — — US disclosed
EP-3107902-B1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIV CORNELL CENTER FOR TECHNOLOGY ENTERPRISE & COMMERCIALIZATION CCTEC (US) 2021-04-07 — — EP disclosed
US-10941141-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2021-03-09 — — US disclosed
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY 2020-11-12 — — US disclosed
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2020-02-06 — — US disclosed
WO-2019104067-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY (US) 2019-05-31 — — WO disclosed
US-10227345-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2019-03-12 — — US disclosed
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2018-08-02 — — US disclosed
US-9850243-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2017-12-26 — — US disclosed
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
WO-2015127125-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY (US) 2015-08-27 — — 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 (11 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 RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-10227345-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 RXFP1 3946/4885HTR6 4706/4885KDM4E 2479/4885
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 RXFP1 3946/4885HTR6 4706/4885KDM4E 2479/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 RXFP1 3946/4885HTR6 4706/4885KDM4E 2479/4885
US-10941141-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF RXFP1 3084/4885HTR6 2746/4885KDM4E 4674/4885

“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.