SCHEMBL9765665

SCHEMBL9765665

Cc1cccnc1Oc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CRHR1 P34998 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ DOHH Q9BU89 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL3660640 0.78 TDP1 (0.54) HTR1ASLC6A2SLC6A4CRHR1LMNA
SCHEMBL4799563 0.78 SMN1; SMN2 (0.62) KDM4EHTR1ASLC6A2SLC6A4LMNA
SCHEMBL4361112 0.78 KDM4E (0.47) KDM4ENOS3NOS1NOS2LMNA
SCHEMBL10271917 0.78 KEAP1 (0.59) KDM4ENOS3NOS1NOS2HTR1A
SCHEMBL1705163 0.77 KDM4E (0.46) KDM4ENOS3NOS1NOS2PIN1
Hydrochloric Acid SCHEMBL2964219 0.77 SMN1; SMN2 (0.60) KDM4EHTR1ASLC6A2SLC6A4LMNA
SCHEMBL409030 0.76 KDM4E (0.55) KDM4ENOS3NOS1NOS2PIN1
SCHEMBL29716346 0.76 KMT2A (0.45) KDM4ENOS3NOS1NOS2HTR1A
SCHEMBL22061929 0.76 KMT2A (0.45) KDM4ENOS3NOS1NOS2HTR1A
SCHEMBL15074670 0.74 HTR1A (0.54) KDM4EHTR1ASLC6A2SLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 — — US disclosed
EP-0440784-A1 PREPARATION OF DI-CATION ETHERS. EASTMAN KODAK CO (US) 1991-08-14 — — EP disclosed
WO-1991003465-A1 PREPARATION OF DI-CATION ETHERS EASTMAN KODAK COMPANY (US) 1991-03-21 — — 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 (1 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 KDM4E 327/4885NOS3 4497/4885NOS1 4628/4885

“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.

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