SCHEMBL2167170

SCHEMBL2167170

N=c1[c]nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 7/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MASP2 O00187 1/20 0.41
MEN1 O00255 1/20 0.41
NUDT1 P36639 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.41
PLAUR Q03405 1/20 0.40
GAA P10253 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.37

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
SCHEMBL2166110 0.77 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL386239 0.75 PLAUR (0.44) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL2165480 0.71 CCNB2 (0.34) ALDH1A1KDM4EHSD17B10NUDT1AURKA
SCHEMBL585626 0.64 NPC1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL2862 0.64
SCHEMBL7332915 0.64 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL503219 0.62 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL3115565 0.62 DDAH1 (0.66) NPC1RAB9APKMSMN1; SMN2TP53
SCHEMBL28171991 0.62 NPC1 (0.38) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL1705977 0.62 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ANPSR1

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-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 ALDH1A1 2001/4885KDM4E 1427/4885NPC1 4009/4885

“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.