SCHEMBL3512293

SCHEMBL3512293

Cc1ccc(N(C(=O)O)C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAPT P10636 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3512292 1.00 TSHR (0.53) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL27228442 0.84 ALDH1A1 (0.44) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL20718829 0.84 LMNA (0.51) TSHRMAPTRAB9AMEN1KMT2A
SCHEMBL798563 0.84 LMNA (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL798562 0.84 LMNA (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11765935 0.80 TSHR (0.57) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL11765920 0.80 TSHR (0.57) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL11417651 0.77 TSHR (0.53) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL11731585 0.77 TSHR (0.53) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL11768389 0.76 LMNA (0.36) SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2024-05-02 US disclosed
EP-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 EP disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
EP-2739143-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS Flynn, Gary, A. (US) 2014-06-11 EP disclosed
WO-2013022766-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2013-02-14 WO disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 (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-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 TSHR 1513/4885MAPT 2839/4885NPC1 2492/4885
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 TSHR 2511/4885MAPT 4439/4885NPC1 3266/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 TSHR 1513/4885MAPT 2839/4885NPC1 2492/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 TSHR 1513/4885MAPT 2839/4885NPC1 2492/4885

“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.