SCHEMBL24188487

SCHEMBL24188487

Clc1ccccc1-c1nc2c([nH]1)CC1(CC2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ PTGES O14684 2/20 0.38
▸ PIM1 P11309 4/20 0.38
▸ CSNK2A2 P19784 4/20 0.38
▸ CSNK2B P67870 4/20 0.38
▸ PIM3 Q86V86 4/20 0.38
▸ PIM2 Q9P1W9 4/20 0.38
▸ GUSB P08236 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31288988 0.75 ALDH1A1 (0.49) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL24188484 0.72 HSD11B1 (0.41) ALDH1A1NPC1RAB9APTGESHPGD
SCHEMBL24187953 0.71 PDCD1 (0.62) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL24188144 0.70 GUSB (0.47) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL24188483 0.69 HSD11B1 (0.41) KDM4EALDH1A1PTGESCYP1A2CYP3A4
SCHEMBL24188247 0.69 PDCD1 (0.49) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL30212993 0.68 PDCD1 (0.31) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL31288993 0.68 KDR (0.35) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL20010988 0.66 SUV39H2 (0.40) ALDH1A1NPC1RAB9AMAPK14CRBN
SCHEMBL24188365 0.66 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9AGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 — — 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 (1 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-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS GLI1, GLI2, SHH KDM4E 530/4885ALDH1A1 1281/4885NPC1 488/4885

“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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