SCHEMBL17469801

SCHEMBL17469801

CCCCNC(=N)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MASP2 O00187 1/20 0.41
PLAU P00749 1/20 0.41
THPO P40225 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 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
Carbamic Acid SCHEMBL28032042 0.86 NAAA (0.50) LMNATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL26485348 0.83 HDAC1 (0.43) LMNATSHRSMN1; SMN2HTTPRSS1
SCHEMBL7361096 0.82 SMN1; SMN2 (0.41) LMNATSHRSMN1; SMN2HTTHDAC1
SCHEMBL649985 0.81 NAAA (0.54) LMNATSHRCYP2C9ALDH1A1MAPT
SCHEMBL12658568 0.81 PRSS1 (0.43) TSHRMAPTRAB9ASMN1; SMN2HTT
SCHEMBL17826849 0.79 MASP2 (0.45) LMNATSHRCYP2C19ALDH1A1MAPT
SCHEMBL23222118 0.79 LMNA (0.44) LMNATSHRCYP1A2CYP3A4CYP2C19
SCHEMBL7450887 0.79 SMN1; SMN2 (0.41) LMNATSHRMAPTSMN1; SMN2HTT
SCHEMBL5940563 0.79 LMNA (0.64) LMNATSHRCYP2C19ALDH1A1MAPT
SCHEMBL15846350 0.78 TAS1R3 (0.43) LMNATSHRALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183886-A2 COMPOSITIONS FOR AND METHODS OF MODULATING RNA STABILITY DUKE UNIVERSITY (US) 2023-09-28 WO disclosed
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO 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 (2 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-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B LMNA 1606/4885TSHR 4872/4885CYP1A2 2301/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B LMNA 1606/4885TSHR 4872/4885CYP1A2 2301/4885

“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.