Sugi Predict

Sugi Predict / Compounds / SCHEMBL3093592

SCHEMBL3093592

SCHEMBL3093592

Cc1cc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ GPR119 Q8TDV5 2/20 0.44
▸ GPR174 Q9BXC1 1/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ DPP4 P27487 1/20 0.41

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
SCHEMBL4647997 0.96 MAPT (0.47) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL18425295 0.93 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL4647601 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL4444816 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL4648847 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL4648329 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL16876736 0.86 L3MBTL1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL4647524 0.86 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL4908198 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL29446896 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US disclosed
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US disclosed
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US disclosed
EP-1934199-B1 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-04-22 — — EP disclosed
EP-1934199-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
WO-2007039462-A2 INDANE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 — — US disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 — — US disclosed
US-20070078165-A1 MCH receptor antagonists BERTHEL STEVEN J 2007-04-05 — — 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 (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-20070078165-A1 MCH receptor antagonists MCHR1, MCHR2, MC5R ALDH1A1 1415/4885MAPT 1723/4885LMNA 3483/4885

“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.