SCHEMBL21523722

SCHEMBL21523722

O=C(c1cc(-c2ccccc2)on1)N1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
NPC1 O15118 6/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
HPGD P15428 1/20 0.77
SCD5 Q86SK9 8/20 0.70
SCD O00767 4/20 0.70
MAPT P10636 2/20 0.65
POLB P06746 2/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.63

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
SCHEMBL17553956 0.86 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21536247 0.82 SCD5 (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL16373565 0.81 RAB9A (0.76) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21536464 0.80 SCD5 (0.69) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9911613 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21523640 0.80 SCD5 (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21536514 0.80 NPC1 (0.78) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21535961 0.79 SCD5 (0.74) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21535960 0.77 SCD5 (0.72) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21536519 0.77 KMT2A (0.88) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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 (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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 RAB9A 2129/4885NPC1 72/4885SMN1; SMN2 13/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 RAB9A 2129/4885NPC1 72/4885SMN1; SMN2 13/4885

“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.