SCHEMBL1110600

SCHEMBL1110600

Nc1cc(F)ccc1N1CCCCCCC1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.96
GAA P10253 6/20 0.96
HTT P42858 5/20 0.96
L3MBTL1 Q9Y468 4/20 0.69
S100B P04271 2/20 0.65
KDM4E B2RXH2 5/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HSD17B10 Q99714 1/20 0.56
KEAP1 Q14145 1/20 0.55
RAB9A P51151 2/20 0.53
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3485151 1.00 ALDH1A1 (0.96) ALDH1A1GAAHTTL3MBTL1S100B
Hydrochloric Acid SCHEMBL23043584 0.98 ALDH1A1 (1.00) ALDH1A1GAAHTTL3MBTL1S100B
Hydrochloric Acid SCHEMBL29979151 0.98 ALDH1A1 (1.00) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL29937765 0.98 ALDH1A1 (0.93) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL1136241 0.98 ALDH1A1 (0.93) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL3085534 0.85 ALDH1A1 (0.71) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL7429136 0.81 ALDH1A1 (0.67) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL1136197 0.81 ALDH1A1 (0.67) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL30431849 0.81 ALDH1A1 (0.67) ALDH1A1GAAHTTL3MBTL1S100B
SCHEMBL30198288 0.81 ALDH1A1 (1.00) ALDH1A1GAAHTTL3MBTL1S100B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765941-B2 Aniline derivative having anti-RNA viral activity KINO PHARMA, INC. (JP) 2014-07-01 US disclosed
US-8765941-B2 Aniline derivative having anti-RNA viral activity KINO PHARMA, INC. (JP) 2014-07-01 US disclosed
US-8765941-B2 Aniline derivative having anti-RNA viral activity KINO PHARMA, INC. (JP) 2014-07-01 US disclosed
US-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KINOPHARMA, INC. (JP) 2011-03-10 US disclosed
US-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KINOPHARMA, INC. (JP) 2011-03-10 US disclosed
US-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KINOPHARMA, INC. (JP) 2011-03-10 US disclosed
EP-2279750-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KinoPharma, Inc. (JP) 2011-02-02 EP 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-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY RNASEH1, SARS1, ADAR ALDH1A1 883/4885GAA 578/4885HTT 1332/4885

“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.