SCHEMBL24188247

SCHEMBL24188247

Clc1ccccc1-c1nc2c([nH]1)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.49
▸ CD274 Q9NZQ7 2/20 0.49
▸ HTR7 P34969 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ PTGES O14684 2/20 0.42
▸ GUSB P08236 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ DCUN1D1 Q96GG9 2/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PNMT P11086 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL24187953 0.88 PDCD1 (0.62) PDCD1CD274HTR7KDM4EALDH1A1
SCHEMBL24188218 0.82 PDCD1 (0.49) PDCD1CD274HTR7ALDH1A1NPC1
SCHEMBL31288988 0.80 ALDH1A1 (0.49) PDCD1CD274KDM4EALDH1A1NPC1
SCHEMBL8319716 0.78 PDCD1 (0.53) PDCD1CD274HTR7KDM4EALDH1A1
SCHEMBL24188029 0.78 ADRA2A (0.41) PDCD1CD274HTR7CYP1A2CYP2D6
SCHEMBL24187984 0.77 PDCD1 (0.60) PDCD1CD274HTR7KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4760135 0.77 PDCD1 (0.52) PDCD1CD274HTR7KDM4EALDH1A1
SCHEMBL19549728 0.77 CD274 (0.81) PDCD1CD274HTR7CYP1A2CYP3A4
SCHEMBL24188144 0.72 GUSB (0.47) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL24187941 0.71 PDCD1 (0.62) PDCD1CD274HTR7KDM4EALDH1A1

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 PDCD1 3044/4885CD274 4270/4885HTR7 2809/4885

“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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