SCHEMBL3875259

SCHEMBL3875259

O=C(NCc1cccc(O)c1)c1ccc(C(=O)N[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C(=O)O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
ALOX5 P09917 1/20 0.42
P2RX1 P51575 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PLA2G1B P04054 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CTSL P07711 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
FFAR1 O14842 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3866500 0.92 ALOX5 (0.49) ALOX5MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3870220 0.89 ALDH1A1 (0.47) ALOX5MEN1KMT2AGAAITGB2
SCHEMBL3871282 0.89 ALOX5 (0.44) ALOX5MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3870294 0.89 ALOX5 (0.50) ALOX5MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3868720 0.89 ALOX5 (0.44) ALOX5MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3869581 0.88 MEN1 (0.43) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL3869595 0.88 FFAR1 (0.49) ALOX5MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3875271 0.88 CTSL (0.51) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL3881233 0.85 ALOX5 (0.42) ALOX5CYP1A2CYP3A4GAACYP2C19
SCHEMBL3876648 0.84 ITGB1 (0.47) MEN1KMT2AITGALRAB9ASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US claimed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US claimed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US claimed
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 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 (4 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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A NNMT 2188/4885ALOX5 1502/4885P2RX1 675/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A NNMT 2188/4885ALOX5 1502/4885P2RX1 675/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 NNMT 1914/4885ALOX5 1149/4885P2RX1 703/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 NNMT 1914/4885ALOX5 1149/4885P2RX1 703/4885

“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.