SCHEMBL2771008

SCHEMBL2771008

C1=NCc2cccc3cccc1c23

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TYMS P04818 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
PARP1 P09874 1/20 0.32
PLAU P00749 1/20 0.31
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL1650237 0.98 CYP3A4 (0.40) TSHRCYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL20698677 0.81 CYP3A4 (0.32) TSHRCYP3A4
SCHEMBL19374125 0.80 NPSR1 (0.36) TSHRCYP3A4CYP1B1TRPA1
SCHEMBL242542 0.75
SCHEMBL29517242 0.75
Hydrochloric Acid SCHEMBL2251205 0.73 TRPA1 (0.43) TSHRPARP1PLAUTRPA1
Hydrochloric Acid SCHEMBL31416539 0.73 TRPA1 (0.43) TSHRPARP1PLAUTRPA1
SCHEMBL27462406 0.73
SCHEMBL1502427 0.72 ALDH1A1 (0.34) TSHRALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL9017214 0.72 TDP1 (0.42) TSHRALDH1A1CYP1A2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062844-B1 SUBSTITUTED BENZO(DE)ISOQUINOLINES, PROCESSES FOR THEIR PREPARATION, AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Beiersdorf Aktiengesellschaft (DE) 1984-11-28 EP claimed
JP-8166690-A None JP disclosed
EP-4228625-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 Therapeutics, Inc. (US) 2023-08-23 EP disclosed
WO-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2017-10-12 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
US-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2016-03-10 US disclosed
WO-2014179567-A2 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2014-11-06 WO disclosed
EP-2776017-A1 GOLD COMPOUNDS HAVING ALKYNYL LIGANDS AND THERAPEUTIC USE THEREOF Technische Universität Braunschweig Carolo-Wilhelmina (DE) 2014-09-17 EP disclosed
US-4874863-A Bisnaphthalimides KNOLL AG (DE) 1989-10-17 US disclosed
EP-0281902-A1 Bis-naphthalimides, their preparation and use KNOLL AG (DE) 1988-09-14 EP disclosed
EP-0268093-A1 5-Nitrobenzo[de]isoquinoline-1,3 diones, their preparation and use KNOLL AG (DE) 1988-05-25 EP disclosed
EP-0062844-B1 SUBSTITUTED BENZO(DE)ISOQUINOLINES, PROCESSES FOR THEIR PREPARATION, AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Beiersdorf Aktiengesellschaft (DE) 1984-11-28 EP disclosed
EP-0062844-B1 SUBSTITUTED BENZO(DE)ISOQUINOLINES, PROCESSES FOR THEIR PREPARATION, AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Beiersdorf Aktiengesellschaft (DE) 1984-11-28 EP disclosed
EP-0062844-A1 Substituted benzo(de)isoquinolines, processes for their preparation, and their application as pharmaceutical preparations Beiersdorf Aktiengesellschaft (DE) 1982-10-20 EP disclosed
EP-0062844-A1 Substituted benzo(de)isoquinolines, processes for their preparation, and their application as pharmaceutical preparations Beiersdorf Aktiengesellschaft (DE) 1982-10-20 EP disclosed
EP-0062844-A1 Substituted benzo(de)isoquinolines, processes for their preparation, and their application as pharmaceutical preparations Beiersdorf Aktiengesellschaft (DE) 1982-10-20 EP disclosed
US-4254109-A INHIBIT LENS ALDOSE REDUCTASE AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 US disclosed
US-4254108-A ALDOSE REDUCTASE INHIBITORS AYERST, MCKENNA & HARRISON INC. (CA) 1981-03-03 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 (3 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-20160067241-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS MYC, NME2, TP53 TSHR 4522/4885CYP3A4 493/4885ALDH1A1 1520/4885
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 TSHR 3540/4885CYP3A4 3368/4885ALDH1A1 921/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 TSHR 3540/4885CYP3A4 3368/4885ALDH1A1 921/4885

“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.