SCHEMBL21153833

SCHEMBL21153833

Clc1cccc(Cl)c1Cn1cnc(Nc2ccccc2)c2ncnc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
ACP1 P24666 6/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
EGFR P00533 1/20 0.38
PIM1 P11309 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
SCHEMBL21121668 0.91 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121783 0.90 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121877 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121898 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121767 0.90 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121750 0.89 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121616 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL21121843 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121785 0.88 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2HTTNPSR1MEN1
SCHEMBL21121615 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US claimed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
WO-2019136093-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-07-11 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-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO ALDH1A1 3948/4885SMN1; SMN2 4712/4885HTT 3208/4885

“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.