SCHEMBL18548441

SCHEMBL18548441

CC(C)(C)C(=O)Nc1nc2[nH]nc(NC(=O)O)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LCK P06239 1/20 0.41
PI4KB Q9UBF8 4/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL18576417 0.93 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18572796 0.84 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18572797 0.80 LCK (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18548452 0.80 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL18548422 0.79 LCK (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14454844 0.70 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5578199 0.69 MAPT (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14454842 0.69 AHR (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12599387 0.67 LCK (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL13015630 0.65 KMT2A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138225-B2 Amide compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-11-27 US disclosed
US-10092584-B2 Compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-10-09 US disclosed
US-20170056428-A1 Compounds for the Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 US disclosed
WO-2017035349-A1 AMIDE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
WO-2017035360-A1 COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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 (4 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-10138225-B2 Amide compounds for treatment of medical disorders CFD, TFPI, CFH NPC1 1072/4885RAB9A 1675/4885SMN1; SMN2 2811/4885
US-10092584-B2 Compounds for the treatment of medical disorders CFD, TFPI, CFH NPC1 243/4885RAB9A 2116/4885SMN1; SMN2 3336/4885
US-20170057950-A1 Amide Compounds for Treatment of Medical Disorders CFD, TFPI, CFH NPC1 1072/4885RAB9A 1675/4885SMN1; SMN2 2811/4885
US-20170056428-A1 Compounds for the Treatment of Medical Disorders CFD, TFPI, CFH NPC1 243/4885RAB9A 2116/4885SMN1; SMN2 3336/4885

“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.