SCHEMBL19373379

SCHEMBL19373379

CCCCCCCCCN(C)CCCCCCCCNC(O)c1c[nH]c2c(Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.42
▸ HPGD P15428 1/20 0.38
▸ NR4A2 P43354 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ADRB2 P07550 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HTR7 P34969 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HAT1 O14929 2/20 0.33
▸ EP300 Q09472 2/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL19373354 0.80 GPR84 (0.40) SLC6A4MEN1KMT2ATP53CYP1A2
SCHEMBL3810676 0.77 HDAC1 (0.57) SLC6A4HPGDNR4A2MEN1KMT2A
SCHEMBL24075945 0.65 DYRK1A (0.50) SLC6A4NR4A2CYP1A2HTR2ADYRK1A
SCHEMBL28929229 0.63 NAAA (0.51) SLC6A4HPGDMEN1KMT2ATP53
SCHEMBL24243700 0.62 SLC6A4 (0.70) SLC6A4SMN1; SMN2HTR2ADYRK1A
SCHEMBL19258324 0.58 S1PR2 (0.50) —
SCHEMBL31325292 0.57 ALDH1A1 (0.62) TSHR
SCHEMBL670190 0.57 ALDH1A1 (0.62) TSHR
SCHEMBL18173957 0.57 ALDH1A1 (0.62) TSHR
SCHEMBL25914078 0.57 ALDH1A1 (0.62) TSHR

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-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2017-09-21 — — 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-20170266161-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME PPP2CA, PPP4C, PPP6C SLC6A4 4485/4885HPGD 2876/4885NR4A2 2552/4885

“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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