Sugi Predict

Sugi Predict / Compounds / SCHEMBL5001900

SCHEMBL5001900

SCHEMBL5001900

CC(C)(C)OC(=O)n1[nH]c(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ F2 P00734 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37

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
SCHEMBL3768334 0.90 MAPT (0.44) MAPTALDH1A1LMNACA1CA2
SCHEMBL5255233 0.80 CA1 (0.49) MAPTALDH1A1LMNACA1CA2
SCHEMBL8170409 0.80 NR1H2 (0.42) MAPTCA12CA9PARP1
SCHEMBL6220590 0.78 ALDH1A1 (0.44) MAPTALDH1A1LMNACA1CA2
SCHEMBL31667300 0.76 CHRM2 (0.43) ALDH1A1PARP1
SCHEMBL9646454 0.76 CHRM2 (0.43) ALDH1A1PARP1
SCHEMBL5005428 0.76 MAPT (0.44) MAPTALDH1A1LMNAF2PLAU
SCHEMBL2573606 0.75 ELANE (0.47) MAPTALDH1A1LMNAF2PLAU
SCHEMBL2144637 0.73 ELANE (0.47) MAPTALDH1A1LMNAF2PLAU
SCHEMBL30123629 0.73 ELANE (0.47) MAPTALDH1A1LMNAF2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — WO disclosed
CN-101052629-A Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARM INC (US) 2007-10-10 — — CN disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 — — 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 (2 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 MAPT 3493/4885ALDH1A1 4405/4885LMNA 727/4885
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK MAPT 2499/4885ALDH1A1 2915/4885LMNA 3621/4885

“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.