SCHEMBL3845087

SCHEMBL3845087

COc1ccc(CNC(=O)CCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ HTT P42858 2/20 0.68
▸ NPC1 O15118 3/20 0.65
▸ GAA P10253 1/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ PKM P14618 2/20 0.59
▸ POLB P06746 3/20 0.58
▸ RAB9A P51151 2/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ ERCC1 P07992 1/20 0.56
▸ ERCC4 Q92889 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 1/20 0.55

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
SCHEMBL11441525 0.85 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL933858 0.84 NPC1 (0.67) ALDH1A1NPC1GAAMEN1KMT2A
SCHEMBL23000078 0.84 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1GAAMEN1
SCHEMBL11146344 0.83 NPC1 (0.57) ALDH1A1SMN1; SMN2HTTNPC1MEN1
SCHEMBL5902331 0.83 NPC1 (0.65) ALDH1A1SMN1; SMN2NPC1GAAMEN1
SCHEMBL7529534 0.83 NPC1 (0.65) ALDH1A1NPC1GAAMEN1KMT2A
SCHEMBL16215809 0.83 NPC1 (0.65) ALDH1A1SMN1; SMN2NPC1GAAMEN1
SCHEMBL5250976 0.83 NPC1 (0.69) ALDH1A1NPC1GAAMEN1KMT2A
SCHEMBL2797868 0.83 NPC1 (0.65) ALDH1A1NPC1GAAMEN1KMT2A
SCHEMBL2176443 0.83 NPC1 (0.65) ALDH1A1NPC1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4398944-A N-ALKOXYPHENYLMETHYL-2-CHLOROACETAMIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-08-16 — — US claimed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 — — US disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 — — US disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 — — US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 — — US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 — — US disclosed
CN-110785426-A Compositions and methods for modulating PPP2R1A 加利福尼亚大学董事会 2020-02-11 — — CN disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 — — US disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 — — WO disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 — — WO disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 — — US disclosed
US-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 — — US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 — — US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 — — US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 — — US disclosed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 — — US disclosed
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 — — EP disclosed
US-4398944-A N-ALKOXYPHENYLMETHYL-2-CHLOROACETAMIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-08-16 — — US disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 — — US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 — — 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 (6 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-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 RTN4, RTN3, RCN1 ALDH1A1 4014/4885SMN1; SMN2 2138/4885HTT 3215/4885
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent GAP43, FABP7, AGK ALDH1A1 1828/4885SMN1; SMN2 131/4885HTT 627/4885
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 ALDH1A1 4188/4885SMN1; SMN2 3721/4885HTT 238/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ALDH1A1 2969/4885SMN1; SMN2 1834/4885HTT 546/4885
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A PPP2R1A, PPP3CA, PPP2R2A ALDH1A1 2930/4885SMN1; SMN2 2710/4885HTT 2415/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 ALDH1A1 3634/4885SMN1; SMN2 4802/4885HTT 3950/4885

“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.

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