SCHEMBL10222604

SCHEMBL10222604

CCc1ccc2cc(C(C)(C)C)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ SCN10A Q9Y5Y9 7/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE10A Q9Y233 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TERT O14746 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL10221474 0.87 SCN10A (0.36) SCN10AKCNH2MEN1KMT2APDE10A
SCHEMBL14329494 0.87 KIF11 (0.41) BACE1SCN10AMEN1KMT2A
SCHEMBL14018671 0.84 BACE1 (0.57) BACE1PDE10ATERTMETAP2
SCHEMBL16492040 0.84 BACE1 (0.38) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL29485681 0.80 MEN1 (0.38) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL16492037 0.80 MEN1 (0.38) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL14157791 0.76 PDE10A (0.50) SCN10AKCNH2MEN1KMT2APDE10A
SCHEMBL19170716 0.76 SCN10A (0.37) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL6230105 0.76 CYP1A2 (0.59) BACE1MEN1KMT2AALDH1A1HPGD
SCHEMBL10182842 0.76 CYP1A2 (0.59) BACE1SCN10AKCNH2MEN1KMT2A

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
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 — — 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 (5 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 BACE1 4020/4885SCN10A 3305/4885KCNH2 4528/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 BACE1 4020/4885SCN10A 3305/4885KCNH2 4528/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 BACE1 2803/4885SCN10A 3520/4885KCNH2 191/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 BACE1 2108/4885SCN10A 1246/4885KCNH2 296/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 BACE1 3006/4885SCN10A 1960/4885KCNH2 4355/4885

“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.

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