SCHEMBL17817587

SCHEMBL17817587

CCCCCCCCCCCC(=O)Nc1cc(C)ccn1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
DEGS1 O15121 1/20 0.57
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
GLA P06280 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK10 P53779 1/20 0.52

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
SCHEMBL13922829 0.99 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9093258 0.94 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13922820 0.88 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9664553 0.85 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL25131761 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL28838794 0.84 NPC1 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12643417 0.83 DEGS1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1DEGS1
SCHEMBL1527301 0.82 NPC1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1DEGS1
SCHEMBL8240613 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL13922914 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 RAB9A 3510/4885NPC1 2561/4885SMN1; SMN2 623/4885

“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.