SCHEMBL435397

SCHEMBL435397

COC(=O)c1c(N)ccc(Br)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 5/20 0.43
CFTR P13569 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PRKCZ Q05513 2/20 0.42
KDM4E B2RXH2 6/20 0.41
HPGD P15428 5/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL1335494 0.84 GRM6 (0.42) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL436675 0.84 CA12 (0.46) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL17376170 0.82 ABL1 (0.44) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL16225214 0.82 ALDH1A1 (0.41) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL3987873 0.82 MAPT (0.45) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL25199423 0.82 LMNA (0.43) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL25232528 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL543319 0.80 GRM6 (0.42) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL29743810 0.80 GRM6 (0.42) ALDH1A1HSD17B10CFTRCA12CA1
SCHEMBL25197722 0.80 NOTUM (0.42) ALDH1A1HSD17B10CFTRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-9617237-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-04-11 US disclosed
WO-2012154676-A9 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-27 WO disclosed
EP-2705030-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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 (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-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 ALDH1A1 312/4885HSD17B10 356/4885CFTR 1400/4885
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 ALDH1A1 855/4885HSD17B10 328/4885CFTR 1514/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 ALDH1A1 312/4885HSD17B10 356/4885CFTR 1400/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC ALDH1A1 1755/4885HSD17B10 221/4885CFTR 2012/4885

“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.