SCHEMBL20624995

SCHEMBL20624995

NCCC(=O)NCc1ncc2ccccc2c1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.38
▸ HPGD P15428 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
SCHEMBL8234001 0.72 CYP3A4 (0.81) CYP3A4CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL19915769 0.71 NLN (0.33) —
SCHEMBL16624730 0.66 SMN1; SMN2 (0.48) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1881696 0.66 CYP3A4 (0.97) CYP3A4CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL8935259 0.65 CYP3A4 (0.60) CYP3A4CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL16610098 0.65 MAPT (0.84) CYP3A4CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL20715213 0.65 CYP3A4 (1.00) CYP3A4CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL2812920 0.64 CYP11B1 (0.66) CYP3A4CYP2C9CYP1A2CYP2C19MAPT
SCHEMBL17537295 0.64 KMT2A (0.57) MAPTLMNASMN1; SMN2KMT2AHPGD
SCHEMBL20799451 0.64 HPGD (0.46) CYP3A4CYP1A2CYP2C19MAPTHTT

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-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2019-01-03 — — 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-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS NR0B1, NR1I3, SCARB1 CYP3A4 864/4885CYP2C9 2115/4885CYP1A2 779/4885

“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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