SCHEMBL7069713

SCHEMBL7069713

c1ccc(Cc2nncc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.61
CYP3A4 P08684 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
HTT P42858 2/20 0.46
PRNP P04156 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
GOT1 P17174 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
MPO P05164 2/20 0.44
RAB9A P51151 2/20 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
SCHEMBL31738482 1.00 CYP19A1 (0.61) CYP19A1CYP3A4NPSR1LMNACYP1A2
Azetidine SCHEMBL28099548 0.91 CYP19A1 (0.53) CYP19A1CYP3A4NPSR1LMNACYP1A2
SCHEMBL871138 0.88 CYP19A1 (0.53) CYP19A1CYP3A4NPSR1LMNACYP1A2
SCHEMBL29481851 0.88 CYP19A1 (0.53) CYP19A1CYP3A4NPSR1LMNACYP1A2
Hydrochloric Acid SCHEMBL6061889 0.86 CYP19A1 (0.52) CYP19A1CYP3A4NPSR1LMNACYP1A2
SCHEMBL9807642 0.85 CYP19A1 (0.54) CYP19A1CYP3A4LMNACYP1A2CYP2C9
SCHEMBL28873268 0.82 CYP19A1 (0.62) CYP19A1CYP3A4LMNACYP1A2SMN1; SMN2
Succinic Acid SCHEMBL21385162 0.81 KDR (0.53) CYP19A1ALDH1A1MAPT
SCHEMBL28173505 0.78 SCN9A (0.54) CYP19A1CYP3A4NPSR1LMNACYP1A2
SCHEMBL291353 0.77 KDM4E (0.47) CYP19A1CYP3A4LMNACYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985320-B Benzyl phthalazine compound and its preparation method and application 复旦大学 2018-10-26 CN claimed
CN-105985320-A Benzylphthalazine compound and its preparation method and use 复旦大学 2016-10-05 CN claimed
CN-1496362-A Non-imidazole compounds as histamine H3 antagonists ���鹫˾ 2004-05-12 CN claimed
CN-1469873-A Piperidine compounds useful as antiallergic agents ���鹫˾ 2004-01-21 CN claimed
CN-1094615-A The compositions and the method for improved analgesic effect are provided PROCTER & GAMBLE (US) 1994-11-09 CN claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
CN-117362661-A Hyperbranched carbon-nitrogen heterocyclic resin and resin composition, prepreg, circuit substrate and printed circuit board thereof 浙江华正新材料股份有限公司 2024-01-09 CN disclosed
US-11850234-B2 Enhancement of cancer treatment efficiency via the sphingosine-1-phosphate pathway AC BIOSCIENCE (CH) 2023-12-26 US disclosed
EP-3668506-B1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY AC BIOSCIENCE (CH) 2023-12-06 EP disclosed
EP-3265447-B1 BENZOXAZINE LOW TEMPERATURE CURABLE COMPOSITION HUNTSMAN ADVANCED MAT AMERICAS LLC (US) 2023-03-01 EP disclosed
CN-107428708-B Benzoxazine low temperature curable compositions 亨斯迈先进材料美国有限责任公司 2021-11-09 CN disclosed
US-20200261420-A1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY AC BIOSCIENCE (CH) 2020-08-20 US disclosed
CN-111432815-A Enhancing cancer treatment efficacy via sphingosine-1-phosphate pathway AC生物科学公司 2020-07-17 CN disclosed
US-5169473-A Complex of an onium, arsenic or amine compound and boric acid; advanced polyepoxides; storage stability THE DOW CHEMICAL COMPANY (US) 1992-12-08 US disclosed
US-5134239-A Quaterinary indolizine compound THE DOW CHEMICAL COMPANY (US) 1992-07-28 US disclosed
EP-0458502-A2 Latent catalysts, cure-inhibited epoxy resin compositions and laminates prepared therefrom THE DOW CHEMICAL COMPANY (US) 1991-11-27 EP disclosed
CN-1055180-A 3 of thiazolinone,  azoles quinoline ketone and the imidazolone type that 2-replaces, the preparation method of 5-di-tert-butyl-hydroxy phenyl methylene derivatives WARNER LAMBERT CO (US) 1991-10-09 CN disclosed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US disclosed
EP-0328020-A2 Use of a catalyst in epoxy compositions THE DOW CHEMICAL COMPANY (US) 1989-08-16 EP disclosed
CN-86107627-A The preparation method of novel 4-benzyl-1-(2H)-phthalazinone derivatives 1987-07-15 CN 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-11850234-B2 Enhancement of cancer treatment efficiency via the sphingosine-1-phosphate pathway SPHK1, S1PR1, S1PR2 CYP19A1 3285/4885CYP3A4 4383/4885NPSR1 2289/4885
US-20200261420-A1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY SPHK1, S1PR1, S1PR2 CYP19A1 3285/4885CYP3A4 4383/4885NPSR1 2289/4885

“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.