SCHEMBL19059594

SCHEMBL19059594

O=C(O)CCCC(=O)NCCc1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL18381383 0.79 SMN1; SMN2 (0.47) LMNATSHRSMN1; SMN2HDAC3HDAC4
SCHEMBL19051521 0.76 MTNR1A (0.64) LMNATSHRSMN1; SMN2HDAC3HDAC4
SCHEMBL18381373 0.74 TSHR (0.56) LMNATSHRSMN1; SMN2HDAC3HDAC4
SCHEMBL18381316 0.74 LMNA (0.50) LMNATSHRSMN1; SMN2HDAC3HDAC4
SCHEMBL7440269 0.73 LMNA (0.82) LMNATSHRSMN1; SMN2HDAC3HDAC4
SCHEMBL16353805 0.72 SMN1; SMN2 (0.74) LMNATSHRSMN1; SMN2HDAC3HDAC4
Ingavirin SCHEMBL18381264 0.72 CYP3A4 (0.70) LMNATSHR
SCHEMBL18381295 0.71 SMN1; SMN2 (0.56) LMNATSHRSMN1; SMN2HDAC3HDAC4
SCHEMBL18381278 0.71 GAA (0.77) LMNATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL7280705 0.70 HDAC3 (0.77) LMNATSHRSMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 — — 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 LMNA 129/4885TSHR 2783/4885SMN1; SMN2 807/4885

“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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