SCHEMBL30102647

SCHEMBL30102647

O=C(NCCc1ccncc1)c1cc2ccccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.63
▸ KDM4E B2RXH2 4/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ DRD2 P14416 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ AKR1C3 P42330 1/20 0.60
▸ HTR2C P28335 1/20 0.60
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ HDAC9 Q9UKV0 1/20 0.58
▸ HDAC5 Q9UQL6 1/20 0.58
▸ NPC1 O15118 2/20 0.58

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
SCHEMBL28086946 0.85 NAMPT (0.80) NAMPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL27891708 0.85 KDM4E (0.64) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL13739249 0.81 NAMPT (0.77) NAMPTKDM4EHDAC3HDAC1HDAC2
SCHEMBL17209330 0.81 CA12 (0.77) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL27908704 0.81 PLCG2 (0.61) NAMPTKDM4EALDH1A1DRD2DRD3
SCHEMBL27550290 0.81 AKR1C3 (0.86) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL29904432 0.79 KDM4E (0.83) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL30175948 0.79 KDM4E (0.61) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL20267113 0.78 KDM4E (0.72) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL13753861 0.78 DRD2 (0.84) KDM4EALDH1A1DRD2DRD3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 — — 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-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO NAMPT 561/4885KDM4E 1140/4885ALDH1A1 4030/4885

“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.

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