SCHEMBL16004173

SCHEMBL16004173

NNc1cc(F)c(Br)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
STING1 Q86WV6 1/20 0.38
KIF11 P52732 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35

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 SCHEMBL15994581 0.98 KCNK2 (0.48) KCNK2KCNK10NPC1RAB9ASTING1
Hydrochloric Acid SCHEMBL21988903 0.98 KCNK2 (0.48) KCNK2KCNK10NPC1RAB9ASTING1
SCHEMBL16364784 0.93 STING1 (0.43) KCNK2KCNK10NPC1RAB9ASTING1
SCHEMBL30240184 0.93 STING1 (0.43) KCNK2KCNK10NPC1RAB9ASTING1
Hydrochloric Acid SCHEMBL16320375 0.91 STING1 (0.43) KCNK2KCNK10NPC1RAB9ASTING1
SCHEMBL17627488 0.85 CTSV (0.42) NPC1RAB9ASTING1MAPTKDM4E
SCHEMBL22045554 0.79 MAPT (0.46) NPC1RAB9ASTING1MAPTKDM4E
SCHEMBL24697741 0.78 KEAP1 (0.45) KCNK2KCNK10STING1CA1CA2
SCHEMBL29133155 0.78 MAPT (0.45) NPC1RAB9AAKR1C2AKR1C3MAPT
Hydrochloric Acid SCHEMBL21988698 0.77 MAPT (0.45) NPC1RAB9ASTING1MAPTKDM4E

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
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 US disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 WO disclosed
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2019-05-23 US disclosed
US-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2019-03-05 US disclosed
EP-2961747-B1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-10-26 US disclosed
EP-3197897-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2017-08-02 EP disclosed
US-20170152248-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-01 US disclosed
WO-2016046404-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2016-03-31 WO disclosed
EP-3000814-A1 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors Domain Therapeutics (FR) 2016-03-30 EP disclosed
US-20160009701-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-14 US disclosed
WO-2014134267-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-04 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 (9 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L KCNK2 1344/4885KCNK10 2572/4885NPC1 2812/4885
US-11702405-B2 Chemical compounds HBZ, HBB, HBS1L KCNK2 1344/4885KCNK10 2572/4885NPC1 2812/4885
US-20160009701-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 KCNK2 1854/4885KCNK10 2753/4885NPC1 434/4885
US-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors GRM1, GRM2, GRIN1 KCNK2 560/4885KCNK10 1067/4885NPC1 3263/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L KCNK2 1344/4885KCNK10 2572/4885NPC1 2812/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 KCNK2 560/4885KCNK10 1067/4885NPC1 3263/4885
US-20170152248-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 KCNK2 1854/4885KCNK10 2753/4885NPC1 434/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L KCNK2 1344/4885KCNK10 2572/4885NPC1 2812/4885
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 KCNK2 706/4885KCNK10 1253/4885NPC1 3426/4885

“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.