SCHEMBL19051552

SCHEMBL19051552

Cc1nc[nH]c1CCNC(=O)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HDAC3 O15379 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC11 Q96DB2 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ NCOR2 Q9Y618 3/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ATM Q13315 1/20 0.38

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
SCHEMBL18381448 0.86 CYP3A4 (0.46) LMNATSHRHDAC3HDAC1HDAC2
SCHEMBL19051553 0.84 CYP2C19 (0.51) LMNATSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL16136251 0.81 SMN1; SMN2 (0.42) TSHRSMN1; SMN2HPGD
SCHEMBL18381316 0.80 LMNA (0.50) LMNATSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL1311876 0.79 HSD17B10 (0.44) —
SCHEMBL16064995 0.78 QPCT (0.51) LMNATSHRSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1311861 0.78 HSD17B10 (0.43) —
SCHEMBL18381383 0.74 SMN1; SMN2 (0.47) LMNATSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL18381409 0.74 CYP2C19 (0.46) LMNATSHRSMN1; SMN2HDAC3HDAC1
SCHEMBL18381296 0.73 TSHR (0.42) LMNATSHRSMN1; SMN2HDAC3HDAC1

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-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
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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