SCHEMBL15218366

SCHEMBL15218366

Cc1cnc(Cl)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HSPA5 P11021 1/20 0.34
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
HIF1A Q16665 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 2/20 0.32
PIK3CD O00329 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL31018106 0.81 PIK3CD (0.49) ALDH1A1CCR1CCR5CCR8NOS3
SCHEMBL13245779 0.81 PIK3CD (0.49) ALDH1A1CCR1CCR5CCR8NOS3
SCHEMBL10264977 0.80 HTT (0.33) ALDH1A1SMN1; SMN2CA2CYP2C9MAPT
SCHEMBL16080758 0.77 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL25111658 0.77 PIK3CD (0.38) ALDH1A1SMN1; SMN2POLBMAPTCYP1A2
SCHEMBL21719225 0.77 PIK3CD (0.34) ALDH1A1SMN1; SMN2MAPTCYP1A2PIK3CD
SCHEMBL31427165 0.77 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPTCYP1A2PIK3CD
SCHEMBL16302764 0.76 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL20843996 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL11955167 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2CA2POLBTYR

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 12 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 US disclosed
US-9902703-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2018-02-27 US disclosed
US-20170001966-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2017-01-05 US disclosed
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2013-08-29 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 (9 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 ALDH1A1 116/4885SMN1; SMN2 3587/4885CA2 1433/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD ALDH1A1 116/4885SMN1; SMN2 3587/4885CA2 1433/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA2 3320/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD ALDH1A1 116/4885SMN1; SMN2 3587/4885CA2 1433/4885
US-20130225581-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC DERIVATIVE FGFR3, FGFR1, FGFR4 ALDH1A1 2684/4885SMN1; SMN2 2987/4885CA2 705/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885SMN1; SMN2 3624/4885CA2 3320/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ALDH1A1 3904/4885SMN1; SMN2 2037/4885CA2 3553/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 ALDH1A1 2758/4885SMN1; SMN2 2944/4885CA2 1448/4885
US-20170001966-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 ALDH1A1 4626/4885SMN1; SMN2 1197/4885CA2 704/4885

“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.