SCHEMBL5756345

SCHEMBL5756345

COc1ccc(Cl)cc1NN

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 5/20 0.53
TP53 P04637 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
Bromide SCHEMBL20984137 0.98 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL966892 0.98 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53LMNA
Phosphoric Acid SCHEMBL28373371 0.90 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53POLB
Sulfuric Acid SCHEMBL20984443 0.90 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53LMNA
Oxalic Acid SCHEMBL28378021 0.90 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAPOLB
Nitric Acid SCHEMBL28380031 0.87 MEN1 (0.54) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL11816896 0.84 TRPV4 (0.46) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL23565733 0.83 KMT2A (0.61) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL8329121 0.83 KMT2A (0.61) KMT2AMEN1ALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL20984711 0.82 LPAR1 (0.44) KMT2AMEN1ALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
WO-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 WO disclosed
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 WO disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 US disclosed
EP-3112350-B1 METHOD FOR PRODUCING PYRAZOLE COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed
US-3987234-A ACRYLIC ESTER POLYMERS HENKEL & CIE G.M.B.H. (DT) 1976-10-19 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 (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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KMT2A 4011/4885MEN1 2850/4885ALDH1A1 1574/4885
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP KMT2A 4698/4885MEN1 2006/4885ALDH1A1 2893/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 KMT2A 4011/4885MEN1 2850/4885ALDH1A1 1574/4885
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 KMT2A 981/4885MEN1 3259/4885ALDH1A1 1237/4885

“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.