SCHEMBL533418

SCHEMBL533418

OCc1ccc(-n2ccnn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.58
CYP19A1 P11511 1/20 0.50
VHL P40337 1/20 0.47
ELOC Q15369 1/20 0.47
ELOB Q15370 1/20 0.47
KEAP1 Q14145 1/20 0.43
BRS3 P32247 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
USP7 Q93009 1/20 0.36

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
SCHEMBL29378377 0.85 NOTUM (0.55) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL10447781 0.83 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3
SCHEMBL6877497 0.82 NOTUM (0.60) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL6853891 0.82 NOTUM (0.51) NOTUMCYP19A1KEAP1BRS3
SCHEMBL20300553 0.81 NOTUM (0.63) NOTUMCYP19A1KEAP1BRS3
SCHEMBL12411773 0.81 NOTUM (0.63) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL4921031 0.81 NOTUM (0.58) NOTUMCYP19A1KEAP1BRS3
Hydrochloric Acid SCHEMBL6005235 0.79 NOTUM (0.56) NOTUMCYP19A1KEAP1BRS3
SCHEMBL29084872 0.79 NOTUM (0.61) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL4540648 0.79 NOTUM (0.58) NOTUMCYP19A1KEAP1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
EP-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 EP disclosed
CN-116162084-A Pyran derivatives as CYP11A1 inhibitors 奥赖恩公司 2023-05-26 CN disclosed
CN-110139861-B Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A 1) inhibitors 奥赖恩公司 2022-12-30 CN disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 EP disclosed
WO-2018115591-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION (FI) 2018-06-28 WO disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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 (10 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-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 NOTUM 2244/4885CYP19A1 5/4885VHL 1376/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 NOTUM 2244/4885CYP19A1 5/4885VHL 1376/4885
US-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 NOTUM 3169/4885CYP19A1 2928/4885VHL 3369/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NOTUM 3548/4885CYP19A1 1523/4885VHL 3338/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 NOTUM 2244/4885CYP19A1 5/4885VHL 1376/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 NOTUM 3169/4885CYP19A1 2928/4885VHL 3369/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 NOTUM 2162/4885CYP19A1 5/4885VHL 2225/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NOTUM 3429/4885CYP19A1 1517/4885VHL 3654/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 NOTUM 2988/4885CYP19A1 433/4885VHL 1894/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 NOTUM 2244/4885CYP19A1 5/4885VHL 1376/4885

“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.