SCHEMBL6350964

SCHEMBL6350964

NCc1c(NCCc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
F7 P08709 3/20 0.41
ADRA1B P35368 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
KDM1A O60341 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL6344769 0.84 HSD17B10 (0.46) MEN1KMT2AALDH1A1CYP1A2HTR1A
SCHEMBL17738673 0.81 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ANPC1ALDH1A1
SCHEMBL6346667 0.74 TDP1 (0.46) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL27670029 0.74 DPP4 (0.60) ALDH1A1RAB9ACYP3A4CYP2C9CYP2C19
Hydrogen Sulfide SCHEMBL27639876 0.72 DPP4 (0.58) ALDH1A1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL6344376 0.72 DPP4 (0.42) F7ADRA1BALDH1A1CYP3A4ADRA2A
SCHEMBL6344385 0.71 DPP4 (0.43) L3MBTL1MEN1KMT2ANPC1ALDH1A1
SCHEMBL6366938 0.70 RAB9A (0.61) L3MBTL1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3047149 0.70 L3MBTL1 (0.53) L3MBTL1MEN1KMT2ANPC1ALDH1A1
SCHEMBL6344696 0.69 DPP4 (0.55) SMN1; SMN2DPP4TAAR1LOXL2HPGD

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-20050075352-A1 3,4-Dihydro-(1H)-quinazolin-2-ones and their use as CSBP/p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-04-07 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-20050075352-A1 3,4-Dihydro-(1H)-quinazolin-2-ones and their use as CSBP/p38 kinase inhibitors MAPKAPK2, MAPKAPK3, CREBBP L3MBTL1 2163/4885F7 4878/4885ADRA1B 891/4885

“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.