SCHEMBL2873632

SCHEMBL2873632

N#C[C@]1(c2ccc([N+](=O)[O-])cc2)CC[C@@H](N2CCOCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ OPRL1 P41146 2/20 0.41
▸ SCD O00767 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KCNJ1 P48048 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL2873636 1.00 MEN1 (0.43) MEN1KMT2ACYP1B1OPRL1SCD
SCHEMBL13093465 0.84 OPRL1 (0.50) MEN1KMT2ACYP1B1OPRL1ALDH1A1
SCHEMBL3897910 0.83 L3MBTL1 (0.44) CYP1B1SCDALDH1A1MAPTLMNA
SCHEMBL2868031 0.82 OPRL1 (0.45) OPRL1CYP2D6CCR1RORC
SCHEMBL2868029 0.82 OPRL1 (0.45) OPRL1CYP2D6CCR1RORC
SCHEMBL520984 0.81 SIRT6 (0.41) KMT2AALDH1A1MAPTLMNA
SCHEMBL520983 0.81 SIRT6 (0.41) KMT2AALDH1A1MAPTLMNA
SCHEMBL1769324 0.78 PGR (0.46) MEN1KMT2ASCDALDH1A1MAPT
SCHEMBL2814643 0.75 ALDH1A1 (0.44) MEN1KMT2ASCDALDH1A1MAPT
SCHEMBL3047350 0.75 PGR (0.43) MEN1KMT2ASCDALDH1A1MAPT

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
EP-1811998-B1 TRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-10-20 — — EP disclosed
US-7645775-B2 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 — — US disclosed
US-20070270410-A1 Triazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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-20070270410-A1 Triazoles useful as inhibitors of protein kinases MAP3K20, MAP3K3, MAP3K1 MEN1 2572/4885KMT2A 1446/4885CYP1B1 2856/4885

“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