Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680735

SCHEMBL1680735

SCHEMBL1680735

NCc1ccc(Oc2cccc(F)c2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ SLC6A2 P23975 5/20 0.38
▸ SLC6A4 P31645 5/20 0.38
▸ SLC6A3 Q01959 5/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ AGXT P21549 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34

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
SCHEMBL1680812 0.84 HDAC3 (0.38) SLC6A2SLC6A4SLC6A3TDP1IDO1
SCHEMBL1680555 0.80 ALOX5 (0.43) MAOBCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL920441 0.80 CYP2E1 (0.48) TAAR1CYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL1680827 0.75 TRPA1 (0.40) MAP4K4
SCHEMBL1680394 0.75 CYP2E1 (0.34) IDO1AGXTCYP2E1CYP3A4CYP2D6
SCHEMBL4155325 0.73 ALDH1A1 (0.45) MAOBTDP1MAP4K4
SCHEMBL1680329 0.72 MAOB (0.39) MAOBSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL1680421 0.72 KDM4E (0.39) MAOBSLC6A2SLC6A4SLC6A3TDP1
SCHEMBL506288 0.71 ST14 (0.62) MAOBSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL921251 0.71 MAOB (0.56) MAOBSLC6A2SLC6A4SLC6A3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 — — US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 — — US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 — — US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 — — US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 — — EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 — — 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MAOB 1175/4885SLC6A2 4067/4885SLC6A4 3574/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAOB 2220/4885SLC6A2 3342/4885SLC6A4 3323/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAOB 1205/4885SLC6A2 4162/4885SLC6A4 3703/4885

“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.