SCHEMBL4600427

SCHEMBL4600427

COc1cc(F)c(Br)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PRKDC P78527 2/20 0.56
ERN1 O75460 8/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30316242 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL22918396 0.94 PRKDC (0.63) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29950688 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4813783 0.86 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1048291 0.85 PRKDC (0.56) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1539323 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL20488498 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29655238 0.82 ALDH1A1 (0.69) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL17535640 0.80 ERN1 (0.44) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL16411776 0.79 PRKDC (0.75) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 US disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2022-12-22 US disclosed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-27 US disclosed
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
US-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-05-05 US disclosed
US-20190352283-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2019-11-21 US disclosed
US-20190337928-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2019-11-07 US disclosed
EP-3475272-A1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER The Regents of The University of California (US) 2019-05-01 EP disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
WO-2017223516-A1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-28 WO disclosed
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 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 (8 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ALDH1A1 915/4885KDM4E 3038/4885TSHR 496/4885
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885KDM4E 2587/4885TSHR 4610/4885
US-20190337928-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885KDM4E 2587/4885TSHR 4610/4885
US-10640493-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1526/4885KDM4E 1956/4885TSHR 4519/4885
US-11072600-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885KDM4E 2587/4885TSHR 4610/4885
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 ALDH1A1 2392/4885KDM4E 2780/4885TSHR 3321/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 ALDH1A1 1089/4885KDM4E 2587/4885TSHR 4610/4885
US-20190352283-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 ALDH1A1 1526/4885KDM4E 1956/4885TSHR 4519/4885

“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.