SCHEMBL10192071

SCHEMBL10192071

C=CCNC(=O)Nc1cccc(C)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
SAE1 Q9UBE0 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
KMT2A Q03164 3/20 0.57
PKM P14618 1/20 0.57
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.51
NAMPT P43490 1/20 0.51
RXFP1 Q9HBX9 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
SCHEMBL11152964 0.83 BAZ1A (0.52) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL6037531 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1649522 0.82 EPHX1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5759183 0.81 TSHR (0.65) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL10172965 0.81 NPC1 (0.68) NPC1RAB9ASMN1; SMN2SAE1UBA2
Ammonia Solution, Strong SCHEMBL11319855 0.80 EPHX1 (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL29703055 0.80 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2SAE1UBA2
SCHEMBL4416620 0.80 SMN1; SMN2 (0.77) NPC1RAB9ASMN1; SMN2SAE1UBA2
SCHEMBL12994616 0.80 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2SAE1UBA2
Ammonia Solution, Strong SCHEMBL2058716 0.80 NPC1 (0.66) NPC1RAB9ASMN1; SMN2SAE1UBA2

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 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 (5 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 NPC1 2173/4885RAB9A 3470/4885SMN1; SMN2 4841/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS NPC1 48/4885RAB9A 3241/4885SMN1; SMN2 4206/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPC1 297/4885RAB9A 3975/4885SMN1; SMN2 4525/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885SMN1; SMN2 3609/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885SMN1; SMN2 3609/4885

“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.