SCHEMBL2000165

SCHEMBL2000165

COc1ccc(NN)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 3/20 0.46
KDM1A O60341 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GALR2 O43603 1/20 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
Bromide SCHEMBL20984199 0.98 TUBB1 (0.45) TUBB1KDM1ARAB9ALMNAHTT
Hydrochloric Acid SCHEMBL2722417 0.98 TUBB1 (0.45) TUBB1KDM1ARAB9ALMNAHTT
Phosphoric Acid SCHEMBL20984903 0.90 RAB9A (0.46) TUBB1KDM1ARAB9ALMNAHTT
Sulfuric Acid SCHEMBL20984392 0.90 LMNA (0.46) TUBB1RAB9ALMNAHTTMAPK1
Oxalic Acid SCHEMBL20984470 0.90 RAB9A (0.54) RAB9ALMNAHTTMAPK1ABCG2
Nitric Acid SCHEMBL20984181 0.87 HTT (0.44) RAB9ALMNAHTTMAPK1MEN1
SCHEMBL31337379 0.84 GRM4 (0.47) RAB9ALMNAMEN1ALDH1A1KMT2A
SCHEMBL5016366 0.84 GRM4 (0.47) RAB9ALMNAMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL31051190 0.82 GRM4 (0.46) RAB9ALMNAMEN1ALDH1A1KMT2A
Bromide SCHEMBL20984531 0.82 GRM4 (0.46) RAB9ALMNAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
EP-4188542-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-06-07 EP disclosed
WO-2022031735-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
WO-2006036994-A2 MODULATORS OF CRTH2, COX-2 AND FAAH MICROBIA, INC. (US) 2006-04-06 WO disclosed
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 WO disclosed
US-6803380-B1 NON-STEROIDAL ANTIINFLAMMATORY DRUGS LABORATOIRE THERAMEX (MC) 2004-10-12 US disclosed
EP-1246809-B1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THERAMEX (MC) 2003-07-16 EP disclosed
EP-1246809-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2002-10-09 EP disclosed
WO-2001034577-A1 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2001-05-17 WO disclosed
EP-1099695-A1 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions containing them LABORATOIRE THERAMEX S.A. (MC) 2001-05-16 EP 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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS PKM, PDK1, PDK2 TUBB1 3627/4885KDM1A 1548/4885RAB9A 2753/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 TUBB1 2692/4885KDM1A 2250/4885RAB9A 3831/4885
US-20050234030-A1 Modulators of CRTH2, COX-2 and FAAH FAAH2, FAAH, PTGES2 TUBB1 3681/4885KDM1A 3954/4885RAB9A 3010/4885
US-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 TUBB1 3809/4885KDM1A 1601/4885RAB9A 1384/4885

“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.