SCHEMBL4107529

SCHEMBL4107529

Cc1ccc([N+](=O)[O-])cc1NC(=N)NC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ KMT2A Q03164 8/20 0.55
▸ ALDH1A1 P00352 7/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ HPGD P15428 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ MAPT P10636 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL4107531 0.90 HTT (0.54) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL11263800 0.89 HTT (0.59) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL5527561 0.86 HTT (0.65) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL30078131 0.84 HTT (0.59) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL1583292 0.84 HTT (0.59) HTTSMN1; SMN2KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL2930759 0.83 HTT (0.58) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL18183726 0.83 HTT (0.58) HTTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL11252215 0.83 RORC (0.46) HTTKMT2AALDH1A1MAPTPOLB
Nitric Acid SCHEMBL1717 0.82 HTT (0.57) HTTSMN1; SMN2KMT2AALDH1A1MEN1
Nitric Acid SCHEMBL30496141 0.82 HTT (0.57) HTTSMN1; SMN2KMT2AALDH1A1MEN1

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-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 (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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA HTT 2016/4885SMN1; SMN2 3027/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 HTT 1369/4885SMN1; SMN2 3724/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 HTT 1124/4885SMN1; SMN2 3508/4885KMT2A 949/4885
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 HTT 1588/4885SMN1; SMN2 3800/4885KMT2A 665/4885

“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.

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