SCHEMBL19404042

SCHEMBL19404042

O=C(CNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1)NCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.42
▸ ALPL P05186 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL22040413 0.87 PTPN1 (0.47) PTPN1PTPN11ALDH1A1SMN1; SMN2MEN1
SCHEMBL19403960 0.78 MALT1 (0.37) MALT1ALPLALPGPTPN1PTPN11
SCHEMBL21546369 0.72 MAPT (0.55) TP53MAPTMCHR1SMN1; SMN2MEN1
SCHEMBL21546368 0.70 PADI4 (0.36) TDP1
SCHEMBL17619954 0.70 PADI4 (0.36) TDP1
SCHEMBL17620063 0.69 MAPT (0.51) TP53MAPTMCHR1SMN1; SMN2MEN1
SCHEMBL17620105 0.69 CA2 (0.59) TP53MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL17620219 0.69 MAPT (0.51) TP53MAPTMCHR1SMN1; SMN2MEN1
SCHEMBL6890851 0.69 KDM4E (0.68) ALPLPTPN1MAPTALDH1A1SMN1; SMN2
SCHEMBL17619832 0.68 MAPT (0.40) PTPN1TP53MAPTSMN1; SMN2MEN1

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 7 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-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2021-07-13 — — 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-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
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. 2020-05-28 — — US disclosed
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-09-28 — — 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 (7 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 MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885
US-10869856-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885
US-20200163935-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885
US-20170273943-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885
US-20200231571-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885
US-11571409-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885
US-11059808-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP MALT1 1435/4885ALPL 4784/4885ALPG 4843/4885

“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.

Send feedback