SCHEMBL2859607

SCHEMBL2859607

O=C(O)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TP53 P04637 1/20 0.69
TAAR1 Q96RJ0 1/20 0.55
CTRB1 P17538 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CA2 P00918 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MME P08473 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PIN1 Q13526 4/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
RPS6KA4 O75676 1/20 0.48

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
SCHEMBL7786734 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7381190 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL5788650 0.88 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL10947920 0.85 CTRB1 (0.71) CTRB1PIN1ROCK2RPS6KA5RPS6KA4
SCHEMBL10947930 0.85 CTRB1 (0.71) CTRB1PIN1ROCK2RPS6KA5RPS6KA4
SCHEMBL2315478 0.84 MEN1 (0.70) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2315472 0.84 MEN1 (0.70) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2853682 0.83 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7442005 0.82 CA2 (0.74) NPC1RAB9ASMN1; SMN2TP53TAAR1
SCHEMBL7442014 0.82 CA2 (0.74) NPC1RAB9ASMN1; SMN2TP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2100875-B1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO PERFUMERY CO LTD (JP) 2016-11-16 EP disclosed
EP-1685092-B1 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO PERFUMERY CO LTD (JP) 2010-01-13 EP disclosed
US-7626034-B2 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-12-01 US disclosed
EP-2100875-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives Takasago International Corporation (JP) 2009-09-16 EP disclosed
US-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1685092-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-08-02 EP disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 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 (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-20070142443-A1 Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives AADAT, BCAT2, BCAT1 NPC1 4136/4885RAB9A 1424/4885SMN1; SMN2 4356/4885

“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.