SCHEMBL4108640

SCHEMBL4108640

Cc1cc(C)nc(NC(=N)Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ KMT2A Q03164 5/20 0.49
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ VCP P55072 1/20 0.43

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
SCHEMBL5923166 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5923368 0.83 CRHBP (0.50) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL13856226 0.81 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5922959 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL4099597 0.80 LMNA (0.49) RAB9ANPC1KDM4ELMNA
SCHEMBL5923509 0.80 GAA (0.49) RAB9AKMT2AMEN1KDM4EMAPT
SCHEMBL2420716 0.80 RAB9A (0.97) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL12588538 0.78 MAPK1 (0.55) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL5923128 0.78 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5923283 0.78 MAPT (0.58) RAB9ANPC1SMN1; SMN2KMT2AHPGD

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-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 — — US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 — — US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 — — US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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 RAB9A 2870/4885NPC1 4841/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 RAB9A 1539/4885NPC1 4782/4885SMN1; SMN2 3724/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX RAB9A 4546/4885NPC1 3013/4885SMN1; SMN2 4680/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 RAB9A 2224/4885NPC1 4747/4885SMN1; SMN2 3508/4885
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 RAB9A 1450/4885NPC1 4179/4885SMN1; SMN2 3800/4885
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 RAB9A 410/4885NPC1 82/4885SMN1; SMN2 1226/4885

“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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