SCHEMBL437607

SCHEMBL437607

NCCOc1ccc(Cn2c(-c3ccccc3)cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
LTA4H P09960 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PLA2G2A P14555 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
ESR1 P03372 3/20 0.42
PDE6D O43924 2/20 0.40
CCR2 P41597 1/20 0.40
NR1H2 P55055 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL30534775 1.00 PTGS2 (0.48) PTGS2LTA4HL3MBTL1KMT2AALDH1A1
Indole SCHEMBL8436345 0.89 ESR1 (0.42) PTGS2LTA4HL3MBTL1KMT2AALDH1A1
SCHEMBL5075270 0.83 PTGS2 (0.53) PTGS2L3MBTL1KMT2AALDH1A1TAAR1
SCHEMBL4887683 0.81 L3MBTL1 (0.61) PTGS2L3MBTL1KMT2AALDH1A1ESR1
SCHEMBL7799991 0.80 L3MBTL1 (0.46) PTGS2L3MBTL1KMT2AALDH1A1BACE1
SCHEMBL6535399 0.79 HRH3 (0.59) LTA4HESR1HRH3
SCHEMBL6086162 0.78 PTGS2 (0.71) PTGS2L3MBTL1KMT2AALDH1A1ESR1
SCHEMBL2823906 0.77 L3MBTL1 (0.57) PTGS2L3MBTL1KMT2AALDH1A1ESR1
SCHEMBL2828465 0.76 FFAR1 (0.61) L3MBTL1ALDH1A1NR1H2
SCHEMBL27540149 0.75 HTR1B (0.44) KMT2AALDH1A1PLA2G2A

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 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3125920-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER Del Mar Pharmaceuticals (CA) 2017-02-08 EP claimed
WO-2015154064-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2015-10-08 WO claimed
EP-4376848-A1 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA (GEDATOLISIB) AND ITS COMBINATIONS FOR USE IN THE TREATMENT OF CANCER Celcuity Inc. (US) 2024-06-05 EP disclosed
US-20230310385-A1 TREATMENT OF ER-NEGATIVE BREAST CANCER WITH AN PDGF-CC INHIBITOR AND AN ANTI-ESTROGEN PARACRINE THERAPEUTICS AB (SE) 2023-10-05 US disclosed
EP-3373967-B9 TREATMENT OF ER-NEGATIVE BREAST CANCER WITH AN PDGF-CC INHIBITOR AND AN ANTI ESTROGEN PARACRINE THERAPEUTICS AB (SE) 2023-10-04 EP disclosed
CN-108348605-B Treatment of ER-negative breast cancer with PDGF-CC inhibitors and antiestrogens 帕拉卡林治疗公司 2023-06-09 CN disclosed
EP-3373967-B1 TREATMENT OF ER-NEGATIVE BREAST CANCER WITH AN PDGF-CC INHIBITOR AND AN ANTI ESTROGEN PARACRINE THERAPEUTICS AB (SE) 2023-06-07 EP disclosed
US-11633382-B2 Treatment of ER-negative breast cancer with an PDGF-CC inhibitor and anti-estrogen PARACRINE THERAPEUTICS AB (SE) 2023-04-25 US disclosed
WO-2023009438-A1 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA (GEDATOLISIB) AND ITS COMBINATIONS FOR USE IN THE TREATMENT OF CANCER CELCUITY INC. (US) 2023-02-02 WO disclosed
US-20230022525-A1 METHODS FOR THE TREATMENT OF CANCER USING 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA OXFORD FINANCE LLC, AS COLLATERAL AGENT 2023-01-26 US disclosed
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2023-01-03 US disclosed
US-6005102-A NOVEL INTERMEDIATES WHICH MAY BE USED IN THE PRODUCTION OF PHARMACEUTICAL COMPOUNDS FOR ANTI-ESTROGENIC AND MATRIX METALLOPROTEINASES-INHIBITING UTILITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-21 US disclosed
US-5998402-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS;POSTMEMOPAUSE THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-07 US disclosed
US-5998402-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS;POSTMEMOPAUSE THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-07 US disclosed
US-5998402-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS;POSTMEMOPAUSE THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-07 US disclosed
WO-1999059581-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO disclosed
WO-1999059581-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO disclosed
CN-1170719-A Estrogenic agents AMERICAN HOME PROD (US) 1998-01-21 CN disclosed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 EP disclosed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 EP 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-20230022525-A1 METHODS FOR THE TREATMENT OF CANCER USING 1-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]CARBONYL}PHENYL)-3-[4-(4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZIN-2-YL)PHENYL]UREA CDK4, CDKN1A, CDK2 PTGS2 2176/4885LTA4H 2710/4885L3MBTL1 2173/4885
US-11541027-B2 Use of dianhydrogalactitol and analogs or derivatives thereof in combination with platinum-containing antineoplastic agents to treat non-small-cell carcinoma of the lung and brain metastases DNMT1, MGMT, DCK PTGS2 1793/4885LTA4H 4081/4885L3MBTL1 1442/4885

“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.