SCHEMBL8969999

SCHEMBL8969999

CCc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.59
PTGS2 P35354 11/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 3/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
PTGES O14684 2/20 0.51

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
SCHEMBL8969921 0.86 RAB9A (0.54) MEN1KMT2AKDM4ERAB9AHTT
SCHEMBL8969748 0.84 RAB9A (0.78) MEN1KMT2AKDM4ERAB9AHTT
SCHEMBL12943711 0.82 KDM4E (0.69) PTGS2MEN1KMT2AKDM4ERAB9A
SCHEMBL8931510 0.81 PTGS1 (0.58) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL8969803 0.80 KMT2A (0.76) MEN1KMT2AKDM4ERAB9AHTT
SCHEMBL7858370 0.77 PTGS2 (0.60) PTGS1PTGS2PTGES
SCHEMBL11264822 0.77 RAB9A (0.73) MEN1KMT2AKDM4ERAB9AHTT
SCHEMBL11243190 0.76 KDM4E (0.69) MEN1KMT2AKDM4ERAB9AHTT
SCHEMBL29788966 0.75 KDM4C (0.51) PTGS1PTGS2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8931507 0.75 PTGS2 (0.59) PTGS1PTGS2KDM4EPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP PTGS1 4006/4885PTGS2 4382/4885MEN1 4459/4885

“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.