SCHEMBL22552282

SCHEMBL22552282

O=c1c2ccccc2cnn1-c1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 1/20 0.67
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
PLA2G10 O15496 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
METAP2 P50579 1/20 0.50
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL29480967 1.00 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14965912 0.85 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL28766363 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29710433 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29703282 0.83 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL7884958 0.83 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29703258 0.82 RAB9A (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL4238032 0.82 RAB9A (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL28766414 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29710446 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2022-11-22 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 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 (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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD NPC1 896/4885RAB9A 1598/4885SMN1; SMN2 3587/4885
US-11505536-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD NPC1 896/4885RAB9A 1598/4885SMN1; SMN2 3587/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NPC1 896/4885RAB9A 1598/4885SMN1; SMN2 3587/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD NPC1 896/4885RAB9A 1598/4885SMN1; SMN2 3587/4885

“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.