SCHEMBL477399

SCHEMBL477399

OC(c1ccccc1)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
SLC6A3 Q01959 2/20 0.65
CYP3A4 P08684 2/20 0.57
CYP17A1 P05093 2/20 0.57
CYP19A1 P11511 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NOTUM Q6P988 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 2/20 0.43

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
Acetic Acid SCHEMBL28094255 0.89 SMN1; SMN2 (0.55) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL7680971 0.89 CYP3A4 (0.67) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP3A4
Diphenylmethanol SCHEMBL6434457 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ECYP2D6LMNAL3MBTL1
Diphenylmethanol SCHEMBL10868602 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ECYP2D6LMNAL3MBTL1
Diphenylmethanol SCHEMBL41571 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ECYP2D6LMNAL3MBTL1
Diphenylmethanol SCHEMBL11564700 0.84 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ECYP2D6LMNAL3MBTL1
SCHEMBL18228789 0.82 SMN1; SMN2 (0.81) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL11605458 0.82 SRD5A2 (0.62) SMN1; SMN2SLC6A2SLC6A4SLC6A3CYP3A4
Diphenylmethanol SCHEMBL15641329 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ECYP2D6LMNAL3MBTL1
Diphenylmethanol SCHEMBL9324200 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ECYP2D6LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301403-B1 CURING AGENT FOR SYNTHETIC RESINS, COMPOSITIONS CONTAINING THE SAME AND USES OF THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-15 EP claimed
US-4847346-A HYDROXYALKYLPYRIDINE BLOCKED DIISOCYANATES AS CURING AGENTS HOECHST AG (DE) 1989-07-11 US claimed
EP-0301403-A2 Curing agent for synthetic resins, compositions containing the same and uses of them HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP claimed
CN-108368081-B Andrographolide modified compound 黑龙江珍宝岛药业股份有限公司 2021-07-09 CN disclosed
CN-109422771-B Hydrothermally stable anion pillared hybrid porous material and preparation method and application thereof 浙江大学 2020-07-24 CN disclosed
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
CN-109678789-A A method of regulating and controlling pyridine derivate catalytic hydrogenation reaction using oxidation-reduction potential 安徽德信佳生物医药有限公司 2019-04-26 CN disclosed
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE MEDSHINE DISCOVERY INC. (CN) 2018-12-06 US disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
WO-1992019596-A2 PROCESSES FOR PRODUCING α-PYRIDYL CARBINOLS REILLY INDUSTRIES, INC. (US) 1992-11-12 WO disclosed
EP-0301403-B1 CURING AGENT FOR SYNTHETIC RESINS, COMPOSITIONS CONTAINING THE SAME AND USES OF THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-15 EP disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
US-4847346-A HYDROXYALKYLPYRIDINE BLOCKED DIISOCYANATES AS CURING AGENTS HOECHST AG (DE) 1989-07-11 US disclosed
EP-0301403-A2 Curing agent for synthetic resins, compositions containing the same and uses of them HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-01 EP disclosed
US-4098908-A PHENOXYPHENYL PYRIDYL KETONES AND DERIVATIVES AND THEIR USE AS HYPOLEPIDEMIC AGENTS SANDOZ, INC. (US) 1978-07-04 US 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 (4 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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R SMN1; SMN2 3545/4885SLC6A2 1138/4885SLC6A4 1640/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT SMN1; SMN2 4362/4885SLC6A2 3969/4885SLC6A4 2886/4885
US-10717720-B2 Modified compound of andrographolide CYP11B2, CYP11B1, DUSP23 SMN1; SMN2 3845/4885SLC6A2 1596/4885SLC6A4 2222/4885
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE CYP11B2, CYP11B1, DUSP23 SMN1; SMN2 3845/4885SLC6A2 1596/4885SLC6A4 2222/4885

“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.