SCHEMBL4103203

SCHEMBL4103203

Cc1cc(O)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
GBA1 P04062 1/20 0.40
CYP3A4 P08684 1/20 0.39
APEX1 P27695 1/20 0.39
GRM4 Q14833 1/20 0.39
HTT P42858 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 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
SCHEMBL4099555 0.88 MEN1 (0.45) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL17985492 0.88 KMT2A (0.49) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL4111655 0.86 LMNA (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL18019581 0.85 NPC1 (0.42) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL20799360 0.84 NPC1 (0.44) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL17985484 0.83 ADRA2A (0.47) NPC1RAB9AEPHX1EPHX2MAPT
SCHEMBL4106990 0.83 KMT2A (0.56) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL4100307 0.82 KMT2A (0.39) RAB9AMAPTKMT2ALMNATRPV1
SCHEMBL5923656 0.82 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL4097485 0.81 RAB9A (0.44) NPC1RAB9AMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227333-B2 Inhibition of OLIG2 activity Curtana Pharmaceuticals, Inc. (US) 2019-03-12 US disclosed
US-10227333-B2 Inhibition of OLIG2 activity Curtana Pharmaceuticals, Inc. (US) 2019-03-12 US disclosed
US-20160237069-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. 2016-08-18 US disclosed
US-20160237069-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. 2016-08-18 US disclosed
US-20160237069-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. 2016-08-18 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 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 (6 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA NPC1 4841/4885RAB9A 2870/4885EPHX1 3319/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NPC1 4782/4885RAB9A 1539/4885EPHX1 2311/4885
US-10227333-B2 Inhibition of OLIG2 activity GLI2, ING2, GMFG NPC1 4224/4885RAB9A 3638/4885EPHX1 532/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NPC1 4747/4885RAB9A 2224/4885EPHX1 2359/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT NPC1 4179/4885RAB9A 1450/4885EPHX1 3675/4885
US-20160237069-A1 INHIBITION OF OLIG2 ACTIVITY GLI2, ING2, GMFG NPC1 4224/4885RAB9A 3638/4885EPHX1 532/4885

“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.