SCHEMBL4918337

SCHEMBL4918337

O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccc(OC(F)(F)F)c2)N1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.47
ADCYAP1R1 P41586 1/20 0.39
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
KIF11 P52732 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 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
SCHEMBL4918351 1.00 TDP1 (0.64) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4918345 1.00 TDP1 (0.64) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4919833 0.86 ALDH1A1 (0.64) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4908019 0.81 ADCYAP1R1 (0.43) TDP1ADCYAP1R1ABCC9ABCC8KCNJ11
SCHEMBL4908022 0.81 ADCYAP1R1 (0.43) TDP1ADCYAP1R1ABCC9ABCC8KCNJ11
SCHEMBL4908028 0.81 ADCYAP1R1 (0.43) TDP1ADCYAP1R1ABCC9ABCC8KCNJ11
SCHEMBL8529114 0.78 TDP1 (0.73) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8533561 0.78 TDP1 (0.73) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8529113 0.78 TDP1 (0.73) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8529118 0.78 TDP1 (0.73) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2

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-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US disclosed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US disclosed
US-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles LOWE JOHN ADAMS (US) 2003-10-23 US disclosed
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2003-06-19 US disclosed
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2002-03-21 US disclosed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP disclosed
US-5773450-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-06-30 US disclosed
EP-0589924-B1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1996-09-04 EP disclosed
EP-0589924-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. PFIZER (US) 1994-04-06 EP disclosed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 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 (5 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-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles FPR1, OPRK1, CNR1 TDP1 399/4885KMT2A 1901/4885MEN1 2307/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR TDP1 1568/4885KMT2A 3230/4885MEN1 1738/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TDP1 1466/4885KMT2A 2820/4885MEN1 287/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TDP1 1466/4885KMT2A 2820/4885MEN1 287/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 TDP1 1170/4885KMT2A 2042/4885MEN1 2509/4885

“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.