SCHEMBL22260666

SCHEMBL22260666

Cc1ccc(-c2ccc(C(=O)NC(C)C(=O)NCCO)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CNR1 P21554 4/20 0.39
▸ F2 P00734 5/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ PTGER3 P43115 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MASP2 O00187 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ KCNA4 P22459 1/20 0.35
▸ KCNA1 Q09470 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19403960 0.89 MALT1 (0.37) KDM4EHPGDUSP2HSD17B10F2
SCHEMBL19403986 0.89 CYP3A4 (0.45) KDM4EHPGDUSP2HSD17B10F2
SCHEMBL17620047 0.78 KDM4E (0.39) KDM4EHPGDUSP2HSD17B10CNR1
SCHEMBL19403963 0.75 F2 (0.41) KDM4EHPGDHSD17B10F2MMP13
SCHEMBL21546368 0.68 PADI4 (0.36) —
SCHEMBL19404042 0.67 MALT1 (0.42) KDM4EHPGDUSP2HSD17B10PTPN1
SCHEMBL3154080 0.67 KDM4E (1.00) KDM4EHPGDUSP2HSD17B10PTPN1
SCHEMBL25327830 0.66 KMT2A (0.50) KDM4EUSP2CNR1CYP3A4TSHR
SCHEMBL22040413 0.66 PTPN1 (0.47) KDM4EHPGDUSP2HSD17B10PTPN1
SCHEMBL27867890 0.65 KDM4E (0.71) KDM4EHPGDUSP2HSD17B10PTPN1

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-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2021-07-13 — — US disclosed
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-07-23 — — 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 (2 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-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP KDM4E 274/4885HPGD 2622/4885USP2 3676/4885
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP KDM4E 274/4885HPGD 2622/4885USP2 3676/4885

“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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