SCHEMBL18381383

SCHEMBL18381383

Cc1ncc(CCNC(=O)CCCC(=O)O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HRH4 Q9H3N8 2/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL19059594 0.79 LMNA (0.51) SMN1; SMN2TSHRLMNAHDAC3HDAC4
Ingavirin SCHEMBL18381264 0.76 CYP3A4 (0.70) TSHRLMNACYP3A4CYP2D6CYP2C19
SCHEMBL19051552 0.74 LMNA (0.48) SMN1; SMN2TSHRLMNAHDAC3HDAC4
SCHEMBL18381218 0.73 CYP3A4 (0.70) TSHRLMNAHRH4CYP3A4CYP2D6
SCHEMBL18381373 0.72 TSHR (0.56) SMN1; SMN2TSHRLMNACYP3A4CYP2D6
SCHEMBL19051521 0.72 MTNR1A (0.64) SMN1; SMN2TSHRLMNAHDAC3HDAC4
SCHEMBL18381295 0.72 SMN1; SMN2 (0.56) SMN1; SMN2TSHRLMNAHDAC3HDAC4
SCHEMBL18381320 0.71 SMN1; SMN2 (0.55) SMN1; SMN2TSHRLMNAHDAC3HDAC4
SCHEMBL18381303 0.70 TBXAS1 (0.64) SMN1; SMN2TSHRLMNAHDAC3HDAC4
SCHEMBL19051556 0.70 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHDAC3HDAC4

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
EP-3118211-A1 AMIDE COMPOUNDS AND METHODS FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2017-01-18 — — EP 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 SMN1; SMN2 807/4885TSHR 2783/4885LMNA 129/4885

“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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