SCHEMBL26499732

SCHEMBL26499732

NCc1ccc(C2(O)CNC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.36
F11 P03951 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
LOXL2 Q9Y4K0 6/20 0.33
TPSAB1 Q15661 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
F10 P00742 1/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL26499420 0.79 ABAT (0.36) ABATF11HRH3LOXL2TPSAB1
SCHEMBL14535488 0.76 KMT2A (0.42) MAPT
SCHEMBL26116295 0.70 SMN1; SMN2 (0.35) GAAMAPTSMN1; SMN2
SCHEMBL4823590 0.67 ABAT (0.46) ABATF11HRH3LOXL2F10
Bicarbonate SCHEMBL31055587 0.65 ABAT (0.60) ABATF11HRH3LOXL2TPSAB1
SCHEMBL6482123 0.64 ABAT (0.43) ABATF11HRH3LOXL2F10
SCHEMBL28216145 0.64 CYP19A1 (0.68) HRH3DDB1CRBNLOXL2
SCHEMBL28331174 0.64 CYP2C9 (0.58) ABATHRH3LOXL2CA1CA2
SCHEMBL27977483 0.64 DRD2 (0.59) ABATF11HRH3LOXL2F10
SCHEMBL250988 0.63 HRH3 (0.43) ABATF11HRH3LOXL2F10

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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2023-10-12 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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 ABAT 618/4885F11 3110/4885HRH3 3738/4885

“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.