SCHEMBL1521088

SCHEMBL1521088

CCCCC1C(=O)N(O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.49
CDC25A P30304 1/20 0.48
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
PTGS1 P23219 1/20 0.47
RAB9A P51151 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL19380405 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDLMNACYP1A2
SCHEMBL19380275 0.79 ALDH1A1 (0.42) CDC25AALDH1A1CYP3A4HPGDLMNA
SCHEMBL31653849 0.79 ALDH1A1 (0.42) CDC25AALDH1A1CYP3A4HPGDLMNA
SCHEMBL9052938 0.77 CDC25A (0.47) CDC25AALDH1A1CYP3A4HPGDLMNA
SCHEMBL254004 0.76 CDC25A (0.70) CDC25AALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL8592697 0.76 CDC25A (0.49) CDC25AALDH1A1CYP3A4HPGDLMNA
SCHEMBL8488571 0.72 ALDH1A1 (0.53) CDC25AALDH1A1CYP3A4HPGDLMNA
SCHEMBL6971389 0.71 AADAT (0.64) AADATALDH1A1MEN1KMT2AKDM4E
SCHEMBL31381632 0.71 AADAT (0.64) AADATALDH1A1MEN1KMT2AKDM4E
SCHEMBL22631177 0.70 AADAT (0.58) AADATALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT AADAT 9/4885CDC25A 245/4885ALDH1A1 1077/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT AADAT 10/4885CDC25A 256/4885ALDH1A1 1238/4885

“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.