SCHEMBL31029225

SCHEMBL31029225

CC(NC(=O)c1cc(C(F)F)nn1C)c1ccc(NC(=O)OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 10/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ SCD O00767 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ INPPL1 O15357 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL31044078 1.00 PHGDH (0.46) PHGDHCYP1A2CYP2C19SCDALDH1A1
SCHEMBL31029157 0.88 MAPT (0.48) PHGDHCYP1A2CYP2C19SCDINPPL1
SCHEMBL31043684 0.88 MAPT (0.48) PHGDHCYP1A2CYP2C19SCDINPPL1
SCHEMBL31043681 0.87 PHGDH (0.44) PHGDHCYP1A2CYP2C19SCDINPPL1
SCHEMBL31044020 0.87 PHGDH (0.44) PHGDHCYP1A2CYP2C19SCDSMN1; SMN2
SCHEMBL31029218 0.87 PHGDH (0.44) PHGDHCYP1A2CYP2C19SCDINPPL1
SCHEMBL31029072 0.87 PHGDH (0.44) PHGDHCYP1A2CYP2C19SCDSMN1; SMN2
SCHEMBL31044019 0.86 SMN1; SMN2 (0.43) PHGDHCYP1A2CYP2C19SCDALDH1A1
SCHEMBL31029111 0.83 CYP1A2 (0.56) CYP1A2CYP2C19ALDH1A1INPPL1SMN1; SMN2
SCHEMBL31044043 0.83 CYP1A2 (0.56) CYP1A2CYP2C19ALDH1A1INPPL1SMN1; SMN2

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
EP-4638433-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2025-10-29 — — EP disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 — — US disclosed
WO-2024137981-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED (US) 2024-06-27 — — 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-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT PHGDH 2045/4885CYP1A2 2623/4885CYP2C19 1592/4885

“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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