SCHEMBL4484449

SCHEMBL4484449

Clc1ccncc1.OBO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.50
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GCGR P47871 1/20 0.43
▸ NT5E P21589 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ LSS P48449 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
SCHEMBL4735385 0.87 CYP19A1 (0.57) CYP19A1KMT2AMEN1GCGRNT5E
SCHEMBL6842 0.87 — —
SCHEMBL14690989 0.87 — —
Methyl Alcohol SCHEMBL28216448 0.85 — —
Hydrochloric Acid SCHEMBL25275623 0.84 — —
SCHEMBL29843433 0.84 — —
Hydrochloric Acid SCHEMBL7292 0.84 — —
Benzene SCHEMBL29047908 0.81 TSHR (0.53) CYP19A1KMT2AMEN1GCGRNT5E
Ammonia Solution, Strong SCHEMBL28661135 0.81 — —
Bicarbonate SCHEMBL8378399 0.80 KMT2A (0.54) CYP19A1KMT2AMEN1NT5EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 — — US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 — — US disclosed
EP-1758911-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES Tibotec Pharmaceuticals Ltd. (IE) 2007-03-07 — — EP disclosed
WO-2005111047-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRIDO[3,2-B]INDOL-2-ONES TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-11-24 — — 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-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CBR1, HRH4, CYP4B1 CYP19A1 266/4885KMT2A 2603/4885MEN1 3050/4885

“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.

Send feedback