SCHEMBL17039009

SCHEMBL17039009

O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
HTR6 P50406 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 3/20 0.46
GAA P10253 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
CYP3A4 P08684 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
SCHEMBL17038967 0.93 MAPT (0.49) MAPTALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL17038968 0.90 HTT (0.50) MAPTALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL17039013 0.89 RXFP1 (0.47) MAPTALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL17039024 0.88 HDAC1 (0.51) MAPTALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL17038866 0.88 SMN1; SMN2 (0.54) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL17195547 0.87 HTT (0.56) MAPTALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL17039011 0.87 POLB (0.55) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL17039017 0.86 MEN1 (0.52) MAPTALDH1A1HTTSMN1; SMN2NPSR1
SCHEMBL17199331 0.86 ALDH1A1 (0.45) MAPTALDH1A1HTTSMN1; SMN2CYP1A2
SCHEMBL17038855 0.86 RXFP1 (0.49) MAPTALDH1A1HTTSMN1; SMN2CYP1A2

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 MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-10227345-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 MAPT 1951/4885ALDH1A1 1799/4885HTT 4625/4885
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 MAPT 1951/4885ALDH1A1 1799/4885HTT 4625/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 MAPT 1951/4885ALDH1A1 1799/4885HTT 4625/4885
US-10941141-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF MAPT 352/4885ALDH1A1 3976/4885HTT 89/4885

“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.