Methacycline

SCHEMBL5791578

C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@H]3[C@@H](O)[C@H]12.NNC(=O)c1ccncc1

nearest known ligand 0.57

Known targets — ChEMBL curated mechanism

rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Methacycline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	TDP1	Q9NUW8	11/20	0.57

▸	KDM4E	B2RXH2	9/20	0.57

▸	RECQL	P46063	7/20	0.57

▸	HPGD	P15428	7/20	0.57

▸	USP2	O75604	7/20	0.57

▸	HSD17B10	Q99714	6/20	0.57

▸	THRB	P10828	5/20	0.57

▸	NR1I2	O75469	2/20	0.57

▸	SIRT5	Q9NXA8	2/20	0.57

▸	LMNA	P02545	2/20	0.57

▸	MC4R	P32245	1/20	0.57

▸	L3MBTL1	Q9Y468	7/20	0.57

▸	MEN1	O00255	6/20	0.57

▸	KMT2A	Q03164	6/20	0.57

▸	MAPT	P10636	5/20	0.57

▸	POLB	P06746	3/20	0.57

▸	RAD52	P43351	1/20	0.57

▸	ALDH1A1	P00352	4/20	0.42

▸	HIF1A	Q16665	3/20	0.42

▸	TSHR	P16473	1/20	0.42

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.

Compound	similarity	top predicted	shared targets
Methacycline SCHEMBL4016	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL4014	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL5523818	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL29376851	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL13328119	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL19771282	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL17430778	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL2614978	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL21133469	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2
Methacycline SCHEMBL30582540	0.89	TDP1 (0.70)	TDP1KDM4ERECQLHPGDUSP2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2006021833-A2	BISBENZAMIDINES FOR THE TREATMENT OF PNEUMONIA	UNIVERSITY OF CINCINNATI (US)	2006-03-02	—	—	WO	disclosed
US-20040009126-A1	Inhalation system for prevention and treatment of intracellular infections	TRANSAVE, INC. (US)	2004-01-15	—	—	US	disclosed