SCHEMBL4307353

SCHEMBL4307353

Clc1ccc(-c2c[c]on2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AHR P35869 1/20 0.40
TP53 P04637 2/20 0.40
HSD11B1 P28845 2/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL346163 0.75 NOTUM (0.42) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1897908 0.71 NOTUM (0.47) MAPTSMN1; SMN2NPC1RAB9APKM
SCHEMBL3937636 0.70 AHR (0.48) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL14586348 0.70 ALOX15 (0.46) MAPTSMN1; SMN2MEN1KMT2AHSP90AA1
SCHEMBL464507 0.68 AHR (0.64) MAPTHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL29624840 0.68 AHR (0.64) MAPTHSP90AA1HSP90AB1RAB9AALDH1A1
SCHEMBL11454896 0.68 ALDH1A1 (0.33) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2752347 0.68 HSP90AA1 (0.47) MAPTSMN1; SMN2MEN1KMT2AHSP90AA1
SCHEMBL23982542 0.68 RAB9A (0.57) MAPTHSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL16291360 0.68 ALPL (0.46) KMT2AHSP90AA1HSP90AB1LMNAAHR

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
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO claimed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US claimed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO claimed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5998419-A BACTERICIDES ISIS PHARMACEUTICALS, INC. (US) 1999-12-07 US disclosed
US-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MAPT 3318/4885SMN1; SMN2 2211/4885MEN1 4329/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 MAPT 3175/4885SMN1; SMN2 4789/4885MEN1 3940/4885

“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.