SCHEMBL22040413

SCHEMBL22040413

O=C(CNC(=O)c1ccc(-c2ccccc2)[nH]1)NCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.47
▸ CNR2 P34972 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CGAS Q8N884 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19404042 0.87 MALT1 (0.42) PTPN1HSD17B10SMN1; SMN2KDM4EHPGD
SCHEMBL20266985 0.79 PTPN1 (0.52) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL20267071 0.77 PTPN1 (0.51) PTPN1TSHRHSD17B10CYP1A2CYP2C9
SCHEMBL19403986 0.77 CYP3A4 (0.45) PTPN1TSHRHSD17B10CYP1A2CYP2C9
SCHEMBL22307347 0.77 PTPN1 (0.54) PTPN1HSD17B10CYP1A2CYP2C9SMN1; SMN2
SCHEMBL26198577 0.75 GAA (0.58) TSHRRECQLSMN1; SMN2MEN1GAA
SCHEMBL7185412 0.73 PTPN1 (0.50) PTPN1HSD17B10CYP1A2CYP2C9SMN1; SMN2
SCHEMBL18493700 0.71 PTPN1 (0.45) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL17267000 0.70 PTPN1 (0.79) PTPN1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL31265773 0.70 PTPN1 (0.85) PTPN1SMN1; SMN2PTPN11LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2023-02-07 — — US disclosed
US-20210093608-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2021-04-01 — — US disclosed
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2020-12-22 — — US disclosed
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. 2020-05-28 — — 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 (4 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-20210093608-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP PTPN1 3550/4885CNR2 757/4885TSHR 4426/4885
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP PTPN1 3550/4885CNR2 757/4885TSHR 4426/4885
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP PTPN1 3550/4885CNR2 757/4885TSHR 4426/4885
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP PTPN1 3550/4885CNR2 757/4885TSHR 4426/4885

“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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