SCHEMBL25735218

SCHEMBL25735218

O=C(NCCCCCCCC1CCN(C(=O)c2ccco2)C1)Nc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ KEAP1 Q14145 3/20 0.44
▸ NFE2L2 Q16236 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL25735151 1.00 NAMPT (0.46) NAMPTTP53TSHRPTPN2PTPN1
SCHEMBL25735190 1.00 NAMPT (0.46) NAMPTTP53TSHRPTPN2PTPN1
SCHEMBL19834841 0.94 NAMPT (0.50) NAMPTTP53TSHRPTPN2PTPN1
SCHEMBL25735169 0.90 CDK2 (0.53) NAMPTKEAP1NFE2L2PKMCCR3
SCHEMBL25735196 0.90 CDK2 (0.53) NAMPTKEAP1NFE2L2PKMCCR3
SCHEMBL25735157 0.89 PKM (0.44) NAMPTPTPN2PTPN1PKMCCR3
SCHEMBL25735202 0.89 PKM (0.44) NAMPTPTPN2PTPN1PKMCCR3
SCHEMBL25735179 0.87 PKM (0.46) NAMPTPTPN2PTPN1PKMCCR3
SCHEMBL25735206 0.87 PKM (0.46) NAMPTPTPN2PTPN1PKMCCR3
SCHEMBL25222285 0.87 PTPN2 (0.43) NAMPTTP53TSHRPTPN2PTPN1

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-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — 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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT NAMPT 1/4885TP53 1020/4885TSHR 3341/4885

“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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