SCHEMBL3724577

SCHEMBL3724577

CC(NN)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 2/20 0.44
KCNN4 O15554 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44

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 SCHEMBL21635151 0.98 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AHDAC3
Hydrochloric Acid SCHEMBL21635150 0.98 CYP1A2 (0.48) CYP1A2CYP2D6MAPTKMT2AHDAC3
SCHEMBL21484936 0.82 KCNN4 (0.58) CYP1A2CYP2D6MAPTKMT2AHDAC3
SCHEMBL23868362 0.82 KCNN4 (0.58) CYP1A2CYP2D6MAPTKMT2AHDAC3
SCHEMBL23797835 0.82 KDM4E (0.42) CYP1A2CYP2D6MAPTKMT2ACYP2C19
Hydrochloric Acid SCHEMBL28909493 0.81 KCNN4 (0.56) CYP1A2CYP2D6MAPTKMT2AHDAC3
Hydrochloric Acid SCHEMBL23855523 0.81 KCNN4 (0.56) CYP1A2CYP2D6MAPTKMT2AHDAC3
SCHEMBL11480581 0.81 HDAC3 (0.48) CYP1A2CYP2D6MAPTKMT2AHDAC3
SCHEMBL8922875 0.81 HDAC3 (0.48) CYP1A2CYP2D6MAPTKMT2AHDAC3
SCHEMBL23797844 0.80 CA1 (0.51) MAPTKMT2ARECQLMAPK1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956878-A Perovskite layer manufacturing method, perovskite battery, battery assembly and photovoltaic system 浙江爱旭太阳能科技有限公司 2024-04-30 CN claimed
CN-117956878-A Perovskite layer manufacturing method, perovskite battery, battery assembly and photovoltaic system 浙江爱旭太阳能科技有限公司 2024-04-30 CN disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors ALTANA PHARMA AG (DE) 2008-09-18 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
EP-1716123-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 EP disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-4389415-A ALPHA-METHYL-P-TYROSINE, HYDRAZINO PHENYLPROPIONIC ACID MERCK & CO., INC. (US) 1983-06-21 US disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
EP-0003353-A1 A pharmaceutical composition for oral administration for treating hypertension MERCK & CO. INC. (US) 1979-08-08 EP disclosed
US-4163054-A PHENYL HYDRAZINO SUBSTITUTED PROPIONIC ACID DECARBOXYLASE INHIBITOR AND GUANETHIDINE MERCK & CO., INC. (US) 1979-07-31 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 US disclosed
US-4086354-A TRIMETHAPHAN CAMSYLATE OR CLONIDINE WITH A HYDRAZINO PHENYL SUBSTITUTED PROPIONIC ACID DECARBOXYLASE INHIBITOR MERCK & CO., INC. (US) 1978-04-25 US disclosed
US-4055645-A HYDRALAZINE AND A HYDRAZINO PHENYL PROPIONIC ACID MERCK & CO., INC. (US) 1977-10-25 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 CYP1A2 2894/4885CYP2D6 3905/4885MAPT 2314/4885
US-20080227790-A1 Pyridazinone Derivatives and their Use as Pde4 Inhibitors PDE4A, PDE4B, PDE5A CYP1A2 172/4885CYP2D6 142/4885MAPT 4017/4885

“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.