SCHEMBL3624985

SCHEMBL3624985

Nc1nc(CCN2CCOCC2)cs1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.72
NOS1 P29475 1/20 0.44
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.39
CXCR4 P61073 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 1/20 0.37
KEAP1 Q14145 1/20 0.37
AOC3 Q16853 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL307293 0.84 SMN1; SMN2 (1.00) SMN1; SMN2NOS1LMNARAB9ACXCR4
Hydrochloric Acid SCHEMBL3606873 0.83 SMN1; SMN2 (0.97) SMN1; SMN2LMNARAB9ACXCR4GABRA5
SCHEMBL7279139 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NOS1LMNARAB9AGABRA5
SCHEMBL10517613 0.77 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10HTR2AHTR2CHTR2B
SCHEMBL3612360 0.77 SMN1; SMN2 (0.51) SMN1; SMN2NOS1LMNARAB9AGABRA5
SCHEMBL444637 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNACXCR4SIGMAR1POLB
SCHEMBL30438810 0.73 SMN1; SMN2 (0.42) SMN1; SMN2LMNACXCR4SIGMAR1POLB
SCHEMBL10517548 0.73 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10SIGMAR1HTR2AHTR2C
SCHEMBL11195110 0.73 NOS1 (0.49) NOS1LMNAHTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL465779 0.73 SMN1; SMN2 (0.75) SMN1; SMN2LMNACXCR4GABRA5GABRB2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 CN disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 CN 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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 SMN1; SMN2 4284/4885NOS1 3588/4885LMNA 3549/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 SMN1; SMN2 4284/4885NOS1 3588/4885LMNA 3549/4885
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3226/4885NOS1 1204/4885LMNA 1833/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 SMN1; SMN2 3799/4885NOS1 679/4885LMNA 3439/4885

“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.