SCHEMBL5355772

SCHEMBL5355772

NCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 6/20 0.55
GLA P06280 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PTPRF P10586 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 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
Hydrochloric Acid SCHEMBL28432645 0.98 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL515052 0.98 MAPT (0.59) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL6851290 0.89 ALDH1A1 (0.60) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL9003269 0.88 MAPT (0.70) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL10653211 0.87 ALDH1A1 (0.59) MAPTALDH1A1GLASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL514646 0.86 ALDH1A1 (0.57) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL8820191 0.86 ALDH1A1 (0.57) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL4951837 0.84 ALDH1A1 (0.73) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL13519848 0.84 MAPT (0.66) MAPTALDH1A1GLASMN1; SMN2MEN1
SCHEMBL3989486 0.83 ALDH1A1 (0.58) MAPTALDH1A1GLASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115290765-A Method for quantitatively detecting rhamnolipid by using carboxylic acid labeled HPLC-UV 华东理工大学 2022-11-04 CN claimed
EP-1482901-B1 METHOD FOR COLOURING KERATIN FIBRES HENKEL KGAA (DE) 2006-09-06 EP claimed
EP-1482901-A1 METHOD FOR COLOURING KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-12-08 EP claimed
WO-2003053387-A1 METHOD FOR COLOURING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP claimed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 WO claimed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed
JP-2228637-A None JP disclosed
JP-3242629-A None JP disclosed
US-11840688-B2 Compositions and methods for inhibiting gene expression of Hif2alpha Arrowhead Pharmaceuticals, Inc. (US) 2023-12-12 US disclosed
CN-115290765-A Method for quantitatively detecting rhamnolipid by using carboxylic acid labeled HPLC-UV 华东理工大学 2022-11-04 CN disclosed
CN-115290765-A Method for quantitatively detecting rhamnolipid by using carboxylic acid labeled HPLC-UV 华东理工大学 2022-11-04 CN disclosed
CN-107614002-B Biologically cleavable tetrapeptide linkers 箭头药业股份有限公司 2022-01-04 CN disclosed
US-4842612-A DEVELOPERS USED WITH COUPLERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1989-06-27 US disclosed
EP-0286896-A2 Aminophenyl alkylene diamines and their use in oxidation hair dyeing agents Henkel Kommanditgesellschaft auf Aktien (DE) 1988-10-19 EP disclosed
US-4745652-A DEVELOPERS FOR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-05-24 US disclosed
EP-0256468-A2 Tetraaminopyrimidine derivatives and their use as hair dyeing agents Henkel Kommanditgesellschaft auf Aktien (DE) 1988-02-24 EP disclosed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed
US-4228259-A FROM A POLYAMINO-AMIDE AND A CHROMOPHORE OR CHROMOGEN GROUP L'OREAL (FR) 1980-10-14 US disclosed
US-4008272-A OXIDATION COLOR DYES, HAIR SOCIETE ANONYME DITE: L'OREAL (FR) 1977-02-15 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 (1 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-11840688-B2 Compositions and methods for inhibiting gene expression of Hif2alpha EPAS1, HIF1AN, EGLN2 MAPT 4838/4885ALDH1A1 1079/4885GLA 3888/4885

“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.