SCHEMBL2273209

SCHEMBL2273209

NNC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 6/20 0.57
KCNA3 P22001 2/20 0.40
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
CYP19A1 P11511 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ADRA1A P35348 1/20 0.39
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
TRPM2 O94759 1/20 0.39

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
Water SCHEMBL28025033 0.98 KCNN4 (0.55) KCNN4KCNA3TSHRLMNACYP19A1
SCHEMBL12555039 0.90 KCNN4 (0.47) KCNN4KCNA3TSHRLMNACYP19A1
SCHEMBL29262767 0.80 KCNN4 (0.61) KCNN4KCNA3TSHRLMNACYP19A1
SCHEMBL191706 0.80 KCNN4 (0.52) KCNN4KCNA3TSHRLMNACYP19A1
SCHEMBL12264150 0.78 KCNN4 (0.50) KCNN4KCNA3TSHRLMNACYP19A1
SCHEMBL3228004 0.78 KCNN4 (0.55) KCNN4TSHRLMNAMAPTTDP1
SCHEMBL2392958 0.77 KCNN4 (0.49) KCNN4KCNA3TSHRLMNACYP19A1
SCHEMBL12264151 0.76 KCNN4 (0.47) KCNN4KCNA3TSHRLMNACYP19A1
Hydrochloric Acid SCHEMBL2268778 0.75 KCNN4 (0.52) KCNN4TSHRLMNAMAPTTDP1
SCHEMBL27459558 0.74 KCNN4 (0.72) KCNN4KCNA3TSHRLMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1600455-A1 Preparation of solid phase bound peptides or PNAs Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2005-11-30 EP claimed
US-20050130228-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2005-06-16 US claimed
US-20030138847-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US claimed
EP-1268050-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP claimed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 WO claimed
US-11014960-B2 Amino acid and peptide conjugates and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2021-05-25 US disclosed
US-20200392259-A1 ORTHOMETALLATED CATALYST COMPONENTS FOR OLEFIN POLYMERIZATION AND COPOLYMERIZATION ARZOUMANIDIS GREGORY G (US) 2020-12-17 US disclosed
US-20200361864-A1 Peptide Conjugates, Conjugation Process, and Uses Thereof AUCKLAND UNISERVICES LTD (NZ) 2020-11-19 US disclosed
US-20200353088-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2020-11-12 US disclosed
US-20200306370-A1 AMINO ACID AND PEPTIDE CONJUGATES AND CONJUGATION PROCESS AUCKLAND UNISERVICES LTD (NZ) 2020-10-01 US disclosed
EP-3215116-B1 A HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE UNIV OF THE SCIENCES IN PHILADELPHIA (US) 2020-09-30 EP disclosed
EP-3707157-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF Auckland Uniservices Limited (NZ) 2020-09-16 EP disclosed
EP-0983290-B1 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS MORPHOCHEM AG (DE) 2004-03-03 EP disclosed
US-20030138847-A1 Dosing form for a polymer support, use of said dosing form in organic chemical synthesis and method for production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
EP-1268050-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP disclosed
US-6355726-B1 MULTICOMPONENT UGI REACTION; ANTISENSE AGENTS, ANTIGENS; DIAGNOSIS; CONTROLLING GENE EXPRESSION BY POLYMERIC PEPTIDE NUCLEIC ACIDS MORPHOCHEM AG (DE) 2002-03-12 US disclosed
WO-2001068598-A2 DOSING FORM FOR A POLYMER SUPPORT, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND METHOD FOR PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 WO disclosed
EP-0983290-A1 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS Morphochem AG (DE) 2000-03-08 EP disclosed
WO-1999004895-A1 COMPOSITIONS FOR THE STORAGE AND DELIVERY OF SOLID PHASE REACTIVE PARTICLES AND METHODS OF USING THE SAME ARGONAUT TECHNOLOGIES, INC. (US) 1999-02-04 WO disclosed
WO-1998051697-A2 METHOD FOR PRODUCING POLYMERS HAVING NUCLEO-BASES AS SIDE-GROUPS MORPHOCHEM AG (DE) 1998-11-19 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-20200353088-A1 PEPTIDE CONJUGATE CGRP RECEPTOR ANTAGONISTS AND METHODS OF PREPARATION AND USES THEREOF CALCRL, CALCR, GRPR KCNN4 2869/4885KCNA3 1557/4885TSHR 282/4885
US-20200306370-A1 AMINO ACID AND PEPTIDE CONJUGATES AND CONJUGATION PROCESS DNPEP, VIP, QPCT KCNN4 4721/4885KCNA3 3720/4885TSHR 2067/4885
US-20200361864-A1 Peptide Conjugates, Conjugation Process, and Uses Thereof VIP, NGLY1, PTMS KCNN4 4823/4885KCNA3 4181/4885TSHR 2178/4885
US-11014960-B2 Amino acid and peptide conjugates and uses thereof VIP, DNPEP, LNPEP KCNN4 4717/4885KCNA3 3722/4885TSHR 1968/4885

“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.