SCHEMBL7125898

SCHEMBL7125898

Cc1[nH]c(C=O)c(C)c1CN1CCCC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.38
HTT P42858 3/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7118384 0.92 PDE5A (0.37) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL7118385 0.92 PDE5A (0.37) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL5401530 0.83 MCL1 (0.40) ALDH1A1KDM4EHPGDTSHRHTT
SCHEMBL6092642 0.83 ALOX15 (0.42) ALDH1A1KDM4EPOLBHPGDGAA
SCHEMBL6091353 0.82 ALOX15 (0.45) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL260659 0.81
SCHEMBL7117376 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EPOLBHPGDHTT
SCHEMBL260797 0.76
SCHEMBL260798 0.76
SCHEMBL7128643 0.76 TRPV6 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 ALDH1A1 2773/4885KDM4E 931/4885POLB 3233/4885

“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.