SCHEMBL7636712

SCHEMBL7636712

CCC(C)(C)N/C(Nc1ccc2ncsc2c1)=C(\C#N)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
OTUD7B Q6GQQ9 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
MAT2A P31153 1/20 0.36
POLB P06746 2/20 0.36
KDR P35968 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
INSR P06213 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL7636715 1.00 NPC1 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7658598 0.93 NPC1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7658600 0.93 NPC1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7631160 0.77 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7631165 0.77 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7630182 0.75 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7630186 0.75 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4259969 0.75 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12257145 0.71 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3793730 0.68 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365609-B1 MODULATORS FOR ATP-REGULATED POTASSIUM CHANNELS; TREATING DIABETES OR HYPERINSULINEMIA NOVO NORDISK A/S (DK) 2002-04-02 US claimed
US-6362205-B2 FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR SYSTEM DISORDERS, PULMONARY SYSTEM DISORDERS, GASTROINTESTINAL SYSTEM DISORDERS, AND ENDOCRINOLOGIC SYSTEM DISORDERS NOVO NORDISK A/S (DK) 2002-03-26 US claimed
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-09-27 US claimed
US-6365609-B1 MODULATORS FOR ATP-REGULATED POTASSIUM CHANNELS; TREATING DIABETES OR HYPERINSULINEMIA NOVO NORDISK A/S (DK) 2002-04-02 US disclosed
US-6362205-B2 FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR SYSTEM DISORDERS, PULMONARY SYSTEM DISORDERS, GASTROINTESTINAL SYSTEM DISORDERS, AND ENDOCRINOLOGIC SYSTEM DISORDERS NOVO NORDISK A/S (DK) 2002-03-26 US disclosed
US-20010056188-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-12-27 US disclosed
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-09-27 US disclosed
EP-1124794-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-22 EP disclosed
WO-2000027805-A1 SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-05-18 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 (2 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-20010056188-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use TNNI3, PCCA, NPR3 NPC1 3348/4885RAB9A 3761/4885MEN1 212/4885
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use NPR3, NPR1, PKD1 NPC1 2952/4885RAB9A 3077/4885MEN1 67/4885

“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.