SCHEMBL112161

SCHEMBL112161

N#Cc1ccc(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.70
RAB9A P51151 3/20 0.61
MAPT P10636 7/20 0.61
PKM P14618 2/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 2/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
VCAM1 P19320 1/20 0.51
KMT2A Q03164 3/20 0.51
PRSS1 P07477 3/20 0.46
HCAR3 P49019 1/20 0.46
MERTK Q12866 1/20 0.45

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
SCHEMBL29519350 1.00 KAT2B (0.70) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL6218547 0.92 KAT2B (0.74) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL6214461 0.91 KAT2B (0.73) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL6220073 0.89 KAT2B (0.71) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL7371227 0.89 RAB9A (0.61) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL9516451 0.87 KAT2B (0.61) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL1204829 0.86 KAT2B (0.70) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL31069460 0.86 KAT2B (0.70) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL11544206 0.85 KAT2B (0.65) KAT2BRAB9AMAPTPKMLMNA
SCHEMBL29519405 0.83 KAT2B (0.73) KAT2BMAPTPKMLMNAALDH1A1

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 488 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972044-A Composition and method for dyeing keratin fibers WELLA AG (DE) 1999-10-26 US claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 EP claimed
EP-0391662-B1 Nitroaniline dyes with a cyano substituent group BRISTOL MYERS SQUIBB CO (US) 1993-10-27 EP claimed
US-5024673-A Colorfast direct yellow hair dye CLAIROL INCORPORATED (US) 1991-06-18 US claimed
EP-0391662-A1 Nitroaniline dyes with a cyano substituent group Bristol-Myers Squibb Company (US) 1990-10-10 EP claimed
JP-2268147-A None JP disclosed
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2025-10-23 US disclosed
US-12312359-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2025-05-27 US disclosed
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
WO-1998011863-A2 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
EP-0821935-A2 Composition for dyeing and tinting hair Wella Aktiengesellschaft (DE) 1998-02-04 EP disclosed
EP-0806199-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1997-11-12 EP disclosed
EP-0391662-B1 Nitroaniline dyes with a cyano substituent group BRISTOL MYERS SQUIBB CO (US) 1993-10-27 EP disclosed
US-5024673-A Colorfast direct yellow hair dye CLAIROL INCORPORATED (US) 1991-06-18 US disclosed
US-4980158-A HAIR DYES; PHOTOSTABILITY, WASHFASTNESS CLAIROL INCORPORATED (US) 1990-12-25 US disclosed
JP-H02268147-A NITROANILINE DYE WITH CYANO SUBSTITUENT BRISTOL MYERS SQUIBB CO 1990-11-01 JP disclosed
EP-0391662-A1 Nitroaniline dyes with a cyano substituent group Bristol-Myers Squibb Company (US) 1990-10-10 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-12312359-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 KAT2B 405/4885RAB9A 2372/4885MAPT 1447/4885
US-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 KAT2B 405/4885RAB9A 2372/4885MAPT 1447/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KAT2B 405/4885RAB9A 2372/4885MAPT 1447/4885
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KAT2B 405/4885RAB9A 2372/4885MAPT 1447/4885

“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.