SCHEMBL20791900

SCHEMBL20791900

CCc1ccc(-c2ccc(C(=O)NC(CCCNC(=N)N)C(=O)NN3CCOCC3)[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY4R P50391 11/20 0.34
▸ NPY1R P25929 9/20 0.34
▸ NPY5R Q15761 8/20 0.34
▸ NPY2R P49146 5/20 0.34
▸ TACR2 P21452 2/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL20791913 0.92 CYP2D6 (0.38) KDM4ELMNACYP2C19SMN1; SMN2EPHA2
SCHEMBL17619899 0.91 WNT3A (0.38) KDM4ELMNASMN1; SMN2TACR2WNT3A
SCHEMBL17619932 0.90 SMN1; SMN2 (0.38) LMNASMN1; SMN2
SCHEMBL18591492 0.83 KDM4E (0.34) KDM4ENPY4RNPY1RNPY5RNPY2R
SCHEMBL17620032 0.82 HRH4 (0.36) LMNANPY4RNPY1RNPY5RNPY2R
SCHEMBL21546370 0.81 GAA (0.42) KDM4ELMNATACR2WNT3AGAA
SCHEMBL18591496 0.76 POLB (0.33) KDM4ECYP1A2TACR2GAA
SCHEMBL17620047 0.74 KDM4E (0.39) KDM4ENPY4RNPY1RNPY5RNPY2R
SCHEMBL17619962 0.73 PADI4 (0.38) —
SCHEMBL21546358 0.73 NPY4R (0.35) NPY4RNPY1RNPY5RNPY2R

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-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV NEW YORK BLOOD CENTER, INC. (US) 2019-09-17 — — US disclosed
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2019-03-07 — — 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-10413527-B2 Substituted phenylpyrrolecarboxamides with therapeutic activity in HIV PAH, NPEPPS, DNPEP KDM4E 274/4885LMNA 3981/4885NPC1 732/4885
US-20190070146-A1 SUBSTITUTED PHENYLPYRROLECARBOXAMIDES WITH THERAPEUTIC ACTIVITY IN HIV PAH, NPEPPS, DNPEP KDM4E 274/4885LMNA 3981/4885NPC1 732/4885

“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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