SCHEMBL2622445

SCHEMBL2622445

CC(C)c1nnc(C(F)(F)F)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33
FFAR2 O15552 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17823701 0.83 ALDH1A1 (0.48) ALDH1A1CA1CA2CA4CA5A
SCHEMBL19962274 0.83 ALDH1A1 (0.48) ALDH1A1CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL28484958 0.81 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL17823608 0.81 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA5A
SCHEMBL2631500 0.79 CA1 (0.37) ALDH1A1CA1CA2CA4CA5A
SCHEMBL23048580 0.77 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL23916573 0.76 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL31339479 0.74 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL1106504 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL23741102 0.74 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230157287-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-20220002284-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2022-01-06 US disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
US-11091464-B2 Pyridazinone compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-24 US disclosed
US-20210070713-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-03-11 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090151779-A1 Redox Couples, Compositions and Uses Thereof DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2009-06-18 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080041438-A1 Photoelectric conversion device DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2008-02-21 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (12 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885CA1 4507/4885CA2 3976/4885
US-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF ALDH1A1 2732/4885CA1 3863/4885CA2 3646/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885CA1 4507/4885CA2 3976/4885
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 ALDH1A1 1469/4885CA1 4668/4885CA2 4167/4885
US-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 ALDH1A1 1844/4885CA1 1010/4885CA2 530/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR ALDH1A1 3139/4885CA1 2710/4885CA2 2327/4885
US-20230157287-A1 PESTICIDAL COMPOUNDS PNMT, CAT, DDT ALDH1A1 1917/4885CA1 1357/4885CA2 793/4885
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ ALDH1A1 3843/4885CA1 4786/4885CA2 2202/4885
US-20220002284-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, THOP1 ALDH1A1 1528/4885CA1 1512/4885CA2 752/4885
US-20210070713-A1 PESTICIDAL COMPOUNDS CAT, NIT2, PNMT ALDH1A1 1368/4885CA1 1434/4885CA2 868/4885
US-11091464-B2 Pyridazinone compounds and uses thereof IL6, IL1B, IL1A ALDH1A1 270/4885CA1 4879/4885CA2 4866/4885
US-20210188860-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 ALDH1A1 337/4885CA1 4166/4885CA2 2068/4885

“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.