SCHEMBL17132017

SCHEMBL17132017

Cc1s/c(=N/C(=O)c2ccccc2)n(C)c1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.69
ALDH1A1 P00352 13/20 0.69
SMN1; SMN2 Q16637 12/20 0.69
NPC1 O15118 11/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
KDM4E B2RXH2 11/20 0.57
MAPT P10636 7/20 0.57
HPGD P15428 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 5/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
POLB P06746 1/20 0.48
CA1 P00915 1/20 0.47

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
SCHEMBL17107250 1.00 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL17107251 1.00 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL17132026 0.91 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL17107242 0.91 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL17107243 0.91 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL13428993 0.77 RAB9A (0.76) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL5708565 0.76 KMT2A (0.60) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL5281141 0.74 NPC1 (0.51) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL17107260 0.72 SMN1; SMN2 (0.69) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL17107261 0.72 SMN1; SMN2 (0.69) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS SPINOGENIX, INC. 2021-10-28 US disclosed
US-9650369-B2 Anti-migration and anti-invasion thiazole analogs for treatment of cellular proliferative disease XAVIER UNIVERSITY OF LOUISIANA (US) 2017-05-16 US disclosed
US-9650369-B2 Anti-migration and anti-invasion thiazole analogs for treatment of cellular proliferative disease XAVIER UNIVERSITY OF LOUISIANA (US) 2017-05-16 US disclosed
US-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE XAVIER UNIVERSITY OF LOUISIANA 2015-10-01 US disclosed
US-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE XAVIER UNIVERSITY OF LOUISIANA 2015-10-01 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 (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-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE MKI67, MIF, NUDC RAB9A 1305/4885ALDH1A1 1082/4885SMN1; SMN2 2720/4885
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS FSCN1, SMN1; SMN2, DCX RAB9A 931/4885ALDH1A1 3791/4885SMN1; SMN2 2/4885

“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.