SCHEMBL932997

SCHEMBL932997

B(Oc1ncc[nH]1)Oc1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NISCH Q9Y2I1 2/20 0.32
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL5624457 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL876246 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2NISCHMTORADK
SCHEMBL3454835 0.73
SCHEMBL187790 0.72
SCHEMBL6368310 0.72
SCHEMBL8579336 0.72
SCHEMBL29683638 0.72
SCHEMBL8579331 0.72
SCHEMBL1145756 0.72
Hydrochloric Acid SCHEMBL28209887 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598814-A Preparation method of dexmedetomidine hydrochloride and intermediate thereof 浙江师范大学 2024-09-06 CN disclosed
CN-109563049-B Imidazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-11-29 CN disclosed
EP-3126362-A1 ANTI-FIBROTIC PYRIDINONES Intermune, Inc. (US) 2017-02-08 EP disclosed
WO-2015153683-A1 ANTI-FIBROTIC PYRIDINONES INTERMUNE, INC. (US) 2015-10-08 WO disclosed
US-9067885-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-30 US disclosed
US-9040171-B2 2015-05-26 US disclosed
EP-2392563-B1 Nitrogen containing polycyclic derivatives useful in organic light-emitting devices SAMSUNG DISPLAY CO LTD (KR) 2014-09-17 EP disclosed
US-20110297919-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-12-08 US disclosed
EP-2392563-A1 Nitrogen containing polycyclic derivatives useful in organic light-emitting devices Samsung Mobile Display Co., Ltd. (KR) 2011-12-07 EP disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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 (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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS ALDH1A1 557/4885SMN1; SMN2 4184/4885NISCH 969/4885
US-20110297919-A1 ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, CYP2B6 ALDH1A1 131/4885SMN1; SMN2 2841/4885NISCH 670/4885

“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.